Tag: 100-200

On June 30, 2022, Son, Jong Yeog; Song, Hyunwook published an article.Application In Synthesis of 1-Decanethiol The title of the article was Investigation of intrinsic charge transport via alkyl thiol molecular electronic junctions with conductive probe atomic force microscopy. And the article contained the following:

Herein, we demonstrate characterization of intrinsic charge transport behavior of alkyl thiol mol. electronic junctions using a conductive probe at. force microscopy (CP-AFM). The stable contact between the component mols. and metallic electrodes were established by locating a conductive probe in a static position onto alkyl thiol monolayers, deposited on metal substrates. Then, we performed a combination of various measurement techniques so as to probe the intrinsic charge transport in the mol. junctions, which included temperature-, length-, and force-dependent current-voltage characterizations. Our findings can self-consistently fulfil a criterion in mol. electronics to accomplish a valid junction formation with CP-AFM. The experimental process involved the reaction of 1-Decanethiol(cas: 143-10-2).Application In Synthesis of 1-Decanethiol

The Article related to alkyl thiol mol electronic junction intrinsic charge transport, Electric Phenomena: Dielectric and Electret Properties (Including Electric Moments, and Polarizability) and other aspects.Application In Synthesis of 1-Decanethiol

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On August 6, 2015, Kobayashi, Kaori; Suzuki, Tamotsu; Kawahira, Mizuki; Fujii, Tomohiro; Sugiki, Masayuki; Ohsumi, Koji; Okuzumi, Tatsuya published a patent.HPLC of Formula: 386704-04-7 The title of the patent was Preparation of heterocyclic sulfonamide derivatives as TRPA1 antagonists for treating pain, digestive diseases, and inflammatory diseases. And the patent contained the following:

The heterocyclic sulfonamide derivatives are represented by formula I [Q = O, S; A = 6-membered aromatic or heterocyclic ring, bicyclic aromatic or heterocyclic ring; A1 = C(Ra), N; A2 = C(Rb), N; A3 = C(Rc), N; A4 = C(Rd), N; Ra-Rd = H, halo, cyano, OH, C1-6 alkyl, etc.; least two of A1-A4 are not N; R1 = H, (un)substituted C1-6 alkyl; R2 = H, (un)substituted C1-6 alkyl or C2-6 alkenyl; R3-R5 = H, C1-6 alkyl; R1 and R2 may form (un)substituted heterocycle; R4 and R5 may form cycloalkane; X = (un)substitued C, (un)substited N, or S-containing Cy; Cy = (un)substituted and hetero-(un)containing saturated or unsaturated cyclic group; R6 = (un)substituted C1-6 alkyl, C2-6 alkenyl, halo, OH, amino, etc.; m = 0-3], excluding II. Thus, Mitsunobu reaction of (2S)-1-(benzofuran-2-ylsulfonyl)-N-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxamide (preparation given) and 4-hydroxybenzonitrile (sic) gave (2S)-1-(benzofuran-2-ylsulfonyl)-N-[[3-[(4-cyanophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide showing human transient receptor potential ankyrin 1 antagonistic activity (IC50) 0.0030 μM. The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).HPLC of Formula: 386704-04-7

The Article related to heterocyclic sulfonamide preparation trpa1 antagonist pain digestive inflammatory, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.HPLC of Formula: 386704-04-7

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On January 26, 2017, Kane, John L., Jr.; Barberis, Claude; Czekaj, Mark; Erdman, Paul; Giese, Barret; Kothe, Michael; Le, Tieu-Binh; Liu, Jinyu; Ma, Liang; Metz, Markus; Patel, Vinod; Scholte, Andrew; Shum, Patrick; Wei, Limli published a patent.Formula: C7H6F3NO The title of the patent was Preparation of nitrogen heterocycles as colony stimulating factor-1 receptor (CSF-1R) inhibitors. And the patent contained the following:

Compounds I [A = (CR1R2)n; M = (CR4R5)m; n is 0, 1, 2, 3, 4 or 5; m is 1, 2, 3 or 4; X1 is C, N or CR7, X2, X3, X4, X5, X6 and X7 are each independently selected from N, NR7 or CR7;]. [Wherein: each R7 is independently selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, C2-10-alkylnyl, (C1-10-alkyl)NH, (C1-0-alkyl)2N, (C2-10-alkynyl)NH, C(:O), (C1-10-alkyl)-CO2-, (C1-10-alkyl)-CO2H, (C3-10-cycloalkyl)-CO2H, C1-10-alkoxy, R8-(C1-10-alkyl), R8-(C3-10-cycloalkyl), NR8R9, etc.;]. [Wherein: R8 and R9 are each independently selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C1-3-alkynyl)NH, (C1-10-alkyl)-CO2-, COOH, (C1-10-alkyl)CO2H, etc.; or, R8 and R9 are taken together to form a 3 to 10 member cycloalkyl, heterocycloalkyl, aryl or heteroaryl ring;]. [X8 and X9 are each independently selected from N or C; T1, T2 and T3 is each independently selected from are each independently selected from N or CR10; wherein: each R10 is independently selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, C2-10-alkylnyl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C2-10-alkynyl)NH, C(:O), (C1-10-alkyl)-CO2-, (C1-10-alkyl)-CO2H, (C3-10-cycloalkyl)-CO2H, C1-10-alkoxy, etc.;]. [Y1 is O, S, NR12 or CR12R13; wherein: R12 is absent or R12 and R13 are each independently selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C1-3-alkynyl)NH, (C1-10-alkyl)-CO2-, (C1-10-alkyl)CO2H, (C3-10-cycloalkyl)CO2H, C1-10-alkoxy, etc,;]. [R1 together with the carbon to which it is attached to form a carbonyl and R2 is absent; or, R1 and R2 are each independently selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C1-3-alkynyl)NH, C1-10-alkoxy, etc.;]. [R4 is selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C1-3-alkynyl)NH, C1-10-alkoxy, etc.; or, R4 and R5 can be taken together with the carbon to which they are attached to form a 3 to 10 member ring;]. [R5 is absent or selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C1-3-alkynyl)NH, C1-10-alkoxy, etc.;]. [R6 is selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, C2-10-alkynyl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C2-10-alkynyl)NH, C(:O), etc.;]. [R3 is N or CR16; wherein: R16 is selected from the group consisting of H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C1-3-alkynyl)NH, (C1-10-alkyl)-CO2-, (C1-10-alkyl)-CO2H,(C3-10-cycloalkyl)-CO2H, C1-10-alkoxy, etc.;]. [When m is 1, R16 and R4 are taken together with the carbons to which they are attached to form a compound; wherein the dashed lines represent optional double bonds;] and II [p is 0, 1, 2, 3, 4 or 5; Z = (CZ1)p; Z1 is each independently selected from H, halogen, C1-10-alkyl, C2-9-heteroalkyl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C2-10-alkynyl)NH, C1-10-alkoxy or NH2;]. [Y2 is O, S, NR17, or CR17R18, wherein R17 is absent, or R17 and R18 are each independently selected from H, C1-10-alkyl, C3-10-cycloalkyl, C2-9-heterocycloalkyl, C6-14-aryl, C2-9-heteroaryl, (C1-10-alkyl)NH, (C1-10-alkyl)2N, (C1-3-alkynyl)NH, (C1-10-alkyl)-CO2-, etc.;], or the pharmaceutically acceptable salt thereof, are described. Compounds I and II are useful as colony stimulating factor-1 receptor inhibitors (“”CSF-1R inhibitors””). Thus, 4-(1-((2-(4-methoxyphenyl)-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)-1H-benzo[d]imidazol-5-yl)-2-methylbut-3-yn-2-amine (III) was prepared and tested for CSF-1R inhibition [c-FMS IC50 = 0.005 μM; Phospho c-FMS IC50 = 0,053 μM]. The experimental process involved the reaction of (6-(Trifluoromethyl)pyridin-3-yl)methanol(cas: 386704-04-7).Formula: C7H6F3NO

The Article related to colony stimulating factor receptor inhibitors heterocyclic compound preparation, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Formula: C7H6F3NO

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On December 9, 2021, Blagg, Julian; Roffey, Jon; Drysdale, Martin; Winship, Paul; Clark, David published a patent.Reference of 2,4,6-Trihydroxy-3-methylbenzaldehyde The title of the patent was Heterocyclic benzamide compounds as MLH1 and/or PMS2 proteins inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer. And the patent contained the following:

The invention relates to heterocyclic benzamide compounds of formula I that target the MLH1 and/or PMS2 proteins that are components of the DNA Mismatch Repair (MMR) process. The invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of proliferative disorders, such as cancer, as well as other diseases or conditions in which MLH1 and/or PMS2 activity is implicated. Compounds of formula I wherein R1 and R3 are independently H,OH, halo, C1-4 alkoxy; provided that as least one of the R1 and R3 is OH; R2 is H, F; R4 is H, halo, C1-6 alkyl, (un)substituted C3-6 cycloalkyl, (un)substituted C3-6 cycloalkyl-C1-2 alkyl, etc.; R6 is C1-6 alkyl, C3-8 cycloalkyl, C3-8 cycloalkyl-C1-2 alkyl, 4- to 7-membered cyclic ring, etc.; R10 is NR11R12; R11 and R12 are taken together with the nitrogen atom attached to form (un)substituted 5- to 7-membered heterocyclic ring fused with 5- to 6-membered monocyclic heteroaryl or with Ph to form 8- to 11-membered bicyclic heteroaryl; and their pharmaceutically acceptable salts, hydrates or solvates as MLH1 and/or PMS2 proteins inhibitors in the treatment of cancer thereof, are claimed. Example compound II was prepared by using amidation and desulfonylation as the key steps. All the invention compounds were evaluated for their MLH1 and/or PMS2 proteins inhibitory activity. The experimental process involved the reaction of 2,4,6-Trihydroxy-3-methylbenzaldehyde(cas: 55743-13-0).Reference of 2,4,6-Trihydroxy-3-methylbenzaldehyde

The Article related to heterocyclic benzamide preparation mlh1 pms2 protein inhibitor treatment cancer, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Reference of 2,4,6-Trihydroxy-3-methylbenzaldehyde

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On January 31, 2013, Xia, Guangxin; Shen, Jingkang; Yu, Yongping; Chen, Wenteng; Zhang, Chunchun; Hao, Yu; Zhang, Jing; Li, Bojun; Liu, Xuejun published a patent.Synthetic Route of 1620510-51-1 The title of the patent was Quinazoline derivatives as protein tyrosine kinase inhibitors and their preparation, pharmaceutical compositions and use in the treatment of cancer. And the patent contained the following:

Disclosed are quinazoline derivatives of formula I and their pharmaceutical acceptable salts, enantiomers, non-enantiomers, tautomers, racemates, solvates, metabolic precursors, and prodrugs. Also disclosed are a preparation method therefor, an intermediate, a pharmaceutical composition having the quinazoline derivatives, and an application thereof. The quinazoline derivatives of the invention are provided with improved anti-tumor activity. Compounds of formula I wherein R1 is (un)substituted C6-10 aryl, (un)substituted C3-12heteroaryl; R2 is H, halo, OH, amino, C1-6 (halo)alkyl, C2-6 alkenyl, C2-6 alkynyl, C1-6 alkoxy, etc.; X is halo; R3 and R4 are independently H, C1-6 alkyl, R6R7N-(CH2)1-3-, R6R7N-(CH2)1-2-Y-(CH2)0-4- and Het-W-(CH2)0-2-; R6 and R7 are independently H, C1-6 alkyl, Het-W-(CH2)0-2- and R8-W-(CH2)0-4-; R8 is H, and C1-6 alkyl; Y is O, S and NH and derivatives; Z is NH and derivatives and O; W is NH and derivatives, O and a single bond; Het is 3- to 6-membered heterocyclic ring and 5-membered nitrogen-containing heteroaryl; and their pharmaceutical acceptable salts, enantiomers, non-enantiomers, tautomers, racemates, solvates, metabolic precursors, and prodrugs thereof, are claimed. Compounds of formula I were prepared by using condensation and Wittig olefination as the key steps. All the invention compounds were evaluated for their protein tyrosine kinase inhibitory activity. From the assay, it was determined that example compound II exhibited the IC50 value of 1.3, 75 and 23 nM against EGFR, HER2 and HER4, resp. The experimental process involved the reaction of (R)-(4-Methylmorpholin-3-yl)methanol(cas: 1620510-51-1).Synthetic Route of 1620510-51-1

The Article related to quinazoline preparation protein tyrosine kinase inhibitor treatment cancer, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Synthetic Route of 1620510-51-1

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On August 30, 2001, Bonnert, Roger; Gardiner, Stewart; Hunt, Fraser; Walters, Iain published a patent.Recommanded Product: 72364-46-6 The title of the patent was Preparation of pteridine compounds for the treatment of psoriasis. And the patent contained the following:

The title compounds [I; A = II, III; R1 = (un)substituted cycloalkyl, alkyl, alkenyl, etc.; R2 = H, (un)substituted cycloalkyl, alkyl, etc.; R3 = H, (un)substituted alkyl; NR2R3 = (un)substituted 3-8 membered ring optionally containing one or more atoms selected from O, S, NR8; R8, R18, R19 = H, alkyl, Ph; X = O, S, NR8; Y = CR18R19; Z = CR20; R20 = alkyl, Ph], useful in the treatment of chemokine mediated diseases such as psoriasis, were prepared E.g., a 5-step synthesis of (1R)-IV was given. The compounds I were tested and found to be antagonists of the CXCR2 receptor in human neutrophils. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).Recommanded Product: 72364-46-6

The Article related to pteridine preparation psoriasis chemokine receptor cxcr2 antagonist, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Recommanded Product: 72364-46-6

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Bains, Amreen K.; Kundu, Abhishek; Maiti, Debabrata; Adhikari, Debashis published an article in 2021, the title of the article was Ligand-redox assisted nickel catalysis toward stereoselective synthesis of (n+1)-membered cycloalkanes from 1,n-diols with methyl ketones.Computed Properties of 111-29-5 And the article contains the following content:

A well-defined, bench-stable nickel catalyst was presented here, that can facilitate double alkylation of a Me ketone to realize a wide variety of cycloalkanes. The performance of the catalyst depends on the ligand redox process comprising an azo-hydrazo couple. The source of the bis electrophile in this double alkylation was a 1,n-diol, so that (n+1)-membered cycloalkanes can be furnished in a stereoselective manner. The reaction followed a cascade of dehydrogenation/hydrogenation reactions and adopted a borrowing hydrogen (BH) method. A thorough mechanistic anal. including the interception of key radical intermediates and DFT calculations supported the ligand radical-mediated dehydrogenation and hydrogenation reactions, which is quite rare in BH chem. In particular, this radical-promoted hydrogenation was distinctly different from conventional hydrogenations involving a metal hydride and complementary to the ubiquitous two-electron driven dehydrogenation/hydrogenation reactions. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Computed Properties of 111-29-5

The Article related to acetophenone diol nickel catalyst diastereoselective alkylation tandem dehydrogenation hydrogenation, cycloalkyl phenyl methanone preparation, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ketones and Derivatives, Including Quinones and Sulfur Analogs and other aspects.Computed Properties of 111-29-5

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On February 21, 2020, Jana, Akash; Das, Kuhali; Kundu, Abhishek; Thorve, Pradip Ramdas; Adhikari, Debashis; Maji, Biplab published an article.Electric Literature of 111-29-5 The title of the article was A Phosphine-Free Manganese Catalyst Enables Stereoselective Synthesis of (1 + n)-Membered Cycloalkanes from Methyl Ketones and 1,n-Diols. And the article contained the following:

Herein, we report the stereoselective synthesis of (1 + n)-membered cycloalkane from Me ketone and 1,n-diol. A manganese(I) complex bearing a phosphine-free ligand catalyzed the reaction, which involved the formation of two C-C bonds via a sequence of intermol.- and intramol.-borrowing hydrogenation reactions. It produces 2 mol of water as the sole byproduct, making the process atom economical and environmentally benign. Multisubstituted cycloalkanes were obtained in good to excellent yields with very high selectivities. A thorough mechanistic anal. by high-level DFT computation rationalizes the choice of the pincer and establishes the role of hemilability of the ligand for this efficient transformation. The experimental process involved the reaction of Pentane-1,5-diol(cas: 111-29-5).Electric Literature of 111-29-5

The Article related to cycloalkane stereoselective synthesis methyl ketone diol borrowing hydrogenation sequence, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ketones and Derivatives, Including Quinones and Sulfur Analogs and other aspects.Electric Literature of 111-29-5

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On June 28, 1977, Groves, William G.; Loev, Bernard; Perchonock, Carl D. published a patent.Related Products of 42900-89-0 The title of the patent was Aromatic prostaglandin derivatives. And the patent contained the following:

The prostaglandin-like compounds I (R = H, MeO), prepared by several steps from II and III, resp., inhibit natural prostaglandin synthesis and PGE2-induced diarrhea. The experimental process involved the reaction of Isochroman-3-ol(cas: 42900-89-0).Related Products of 42900-89-0

The Article related to benzeneheptanoic acid prostaglandin inhibitor, Noncondensed Aromatic Compounds: Carboxylic Acids and Peroxycarboxylic Acids and Their Sulfur-Containing Analogs and Salts and other aspects.Related Products of 42900-89-0

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On March 12, 2020, Noroozi, Javad; Smith, William R. published an article.Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol The title of the article was Prediction of Alkanolamine pKa Values by Combined Molecular Dynamics Free Energy Simulations and ab Initio Calculations. And the article contained the following:

Knowledge of aqueous protonation constants (pKa) of chem. species is of significant importance in CO2 reactive absorption system design. Their theor. prediction has mainly relied on implicit solvent models, and the performance of explicit solvent simulations based on classical force fields have rarely been studied. In this paper, we report the results of simulations in explicit TIP3P water with the General Amber Force Field (GAFF) and with the SMD continuum solvent method for the deprotonation pKa values of 29 conformationally diverse alkanolamine species commonly used in CO2 capture. In both cases, we employ the Tissandier value for the hydration free energy of the proton (“The proton’s absolute aqueous enthalpy and Gibbs free energy of solvation from cluster-ion solvation data”, Tissandier, M.D. et al., J. Phys. Chem. A, 1998, 102, 7787-7794). The ideal-gas reaction free energies and their uncertainties were obtained from electronic structure calculations using five different compound methods (CBS-QB3, CBS-APNO, G3, G3B3, G4). The hydration free energies of the neutral and protonated forms of the alkanolamines were calculated using the semiempirical AM1-BCC charge method, in addition to several partial at. charge sets based on the RESP fitting method using electrostatic potentials computed at different ab initio theory/levels in the gas phase as well as in the presence of the solvent reaction field. We incorporated the Galvani surface potential of the ions in the (pKa) calculations Although the individual species hydration free energies show significant sensitivity to the charge model, the resulting pKa values from different charge models are quite similar. Moreover, we found that the protonated amine hydration free energies show slightly less sensitivity to the partial charge method than in the case of the neutral amine. While the predicted pKa values based on the RESP charges yield reasonable agreement with the exptl. data, they are prone to occasional disagreement for mols. of complex geometry. The best performance was achieved using the semiempirical AM1-BCC charges, which showed a mean absolute error of less than 0.73 pKa units in comparison with exptl. data. Our results suggest that the AM1-BCC charge method may be used to model electrolyte solutions encountered in the CO2 reactive absorption process. The experimental process involved the reaction of 2,2′-(tert-Butylazanediyl)diethanol(cas: 2160-93-2).Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol

The Article related to alkanolamine deprotonation protonation carbon dioxide capture aimd simulation, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Application In Synthesis of 2,2′-(tert-Butylazanediyl)diethanol

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