Month: October 2022

《Phytochemical and chemotaxonomic investigation from the roots of Anemone vitifolia Buch.-Ham. (Ranunculaceae)》 was written by Mou, Lin-Yun; Guo, Jie-Yun; Jiang, Wei; Zhang, Feng-Mei; Li, Jian-Long. HPLC of Formula: 20880-92-6 And the article was included in Biochemical Systematics and Ecology on August 31 ,2021. The article conveys some information:

Phytochem. investigation from the roots of Anemone vitifolia Buch.-Ham. led to the isolation of eight compounds, including one triterpenoid saponin, two sugars, one coumarin, one amide, one saturated alkane, one olefin and one fatty acid. The structures of these metabolites were elucidated by spectroscopic data and comparisons with the data available in the literature. Among them, compound 7 ((6Z,9Z,12Z)-6,9,12-Eicosatriene) was isolated for the first time as a natural product. Furthermore, compounds 2 (D-(+)-raffinose), 3 (mixture of β-D-fructopyranose and β-D-fructofuranose) and 5 (bonaroside) were obtained from the Ranunculaceae family for the first time. Compounds 4 (siderin) and 6 (n-hexadecane) were isolated from A. vitifolia for the first time. The chemotaxonomic significance of the isolated compounds was discussed. In the part of experimental materials, we found many familiar compounds, such as ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6HPLC of Formula: 20880-92-6)

((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6) is a useful reactant for examining the effectiveness of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-​II (CA-​II)​.HPLC of Formula: 20880-92-6 And it is used as chiral auxiliaries in Michael and Aldol addition reactions.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

《Synthesis, Biological Evaluation, and Binding Mode of Novel 1-[2-(Diarylmethoxy)ethyl]-2-methyl-5-nitroimidazoles Targeted at the HIV-1 Reverse Transcriptase》 was written by Silvestri, Romano; Artico, Marino; De Martino, Gabriella; Ragno, Rino; Massa, Silvio; Loddo, Roberta; Murgioni, Chiara; Loi, Anna Giulia; La Colla, Paolo; Pani, Alessandra. Quality Control of (3-Chlorophenyl)(phenyl)methanol And the article was included in Journal of Medicinal Chemistry on April 11 ,2002. The article conveys some information:

A novel series of 1-[2-(diarylmethoxy)ethyl]-2-methyl-5-nitroimidazole (DAMNI) analogs were synthesized and tested in cell-based assays and in enzyme assays against HIV-1 recombinant reverse transcriptase (RT). Preparation of the new derivatives was performed by reacting the appropriate benzhydrols or the corresponding bromides with 1-(2-hydroxyethyl)-2-methyl-5-nitroimidazole or the 3-hydroxypropyl homolog. Several compounds showed anti-HIV-1 activity in the submicromolar range. Structure-activity relationship studies suggested that meta substitution at one Ph ring of the diarylmethane moiety strongly influences the antiviral activity. 3,5-Disubstitution at the same Ph ring led to less potent derivatives Mol. modeling and docking studies within the RT non-nucleoside binding site confirmed that DAMNIs, similar to other NNRTIs such as TNK-651 and delavirdine (BHAP U90152), assume a butterfly-like conformation that appears to be halfway between that of classical NNRTIs, such as nevirapine, HEPT, TBZ, TIBO, and DABOs, and the conformation of BHAPs. In particular, the diphenylmethane moiety mimics the wings whereas the 1-(2-methyl-5-nitroimidazolyl)ethane portion resembles the BHAP 5-methanesulfonamidoindole-2-carbonylpiperazine portion. In the experiment, the researchers used many compounds, for example, (3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3Quality Control of (3-Chlorophenyl)(phenyl)methanol)

(3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3) belongs to hydroxy-containing compounds. Hydroxy groups participate in the dehydration reactions that link simple biological molecules into long chains. The creation of a peptide bond to link two amino acids to make a protein removes the −OH from the carboxy group of one amino acid.Quality Control of (3-Chlorophenyl)(phenyl)methanol

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COA of Formula: C13H19Br2ClN2OOn May 31, 2021, Pobudkowska, Aneta; Sliwinska, Agnieszka; Nosol, Kamil published an article in Journal of Solution Chemistry. The article was 《Physicochemical Properties and Solubility of Hydrochloride Mucolytic Agents》. The article mentions the following:

Two widely used active pharmaceutical ingredients (API), ambroxol hydrochloride (AMB·HCl) and bromhexine hydrochloride (BMH·HCl), belong to the expectorant and mucokinetic group of drugs. Their applications are found in the treatment of the upper respiratory tract and bronchopulmonary diseases. The compounds have similar chem. structures, but are different enough to distinguish their physicochem. properties. To understand better the bioavailability of the drugs a series of experiments was performed to establish significant parameters. With differential scanning calorimetry (DSC) the temperature and the enthalpy of fusion were determined with no observed polymorphic transformations. The phase diagrams for binary systems {active agent (1) + solvent (2)} were determined with three solvents: 1-octanol, water and ethanol, to describe phase equilibrium by correlation with the local composition models: Wilson, UNIQUAC and NRTL. Finally, the Bates-Schwarzenbach method was used to establish the ionization constants of AMB·HCl and BMH·HCl at two temperatures: room temperature 298.2 K and human body temperature 310.2 K. Our study can give an insight into further drug delivery system design and help to create more effective drug application forms. The results came from multiple reactions, including the reaction of trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride(cas: 23828-92-4COA of Formula: C13H19Br2ClN2O)

trans-4-((2-Amino-3,5-dibromobenzyl)amino)cyclohexanol hydrochloride(cas: 23828-92-4) enhances pulmonary surfactant production and stimulates ciliary activity.COA of Formula: C13H19Br2ClN2O It promotes mucus clearance, facilitates expectoration and eases productive cough, allowing patients to breathe.

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Reference of (R)-Oxiran-2-ylmethanolOn September 12, 2019 ,《Probing the Existence of a Metastable Binding Site at the β2-Adrenergic Receptor with Homobivalent Bitopic Ligands》 was published in Journal of Medicinal Chemistry. The article was written by Gaiser, Birgit I.; Danielsen, Mia; Marcher-Roersted, Emil; Roepke Joergensen, Kira; Wrobel, Tomasz M.; Frykman, Mikael; Johansson, Henrik; Brauner-Osborne, Hans; Gloriam, David E.; Mathiesen, Jesper Mosolff; Sejer Pedersen, Daniel. The article contains the following contents:

Herein, we report the development of bitopic ligands aimed at targeting the orthosteric binding site (OBS) and a metastable binding site (MBS) within the same receptor unit. Previous mol. dynamics studies on ligand binding to the β2-adrenergic receptor (β2AR) suggested that ligands pause at transient, less-conserved MBSs. We envisioned that MBSs can be regarded as allosteric binding sites and targeted by homobivalent bitopic ligands linking two identical pharmacophores. Such ligands were designed based on docking of the antagonist (S)-alprenolol into the OBS and an MBS and synthesized. Pharmacol. characterization revealed ligands with similar potency and affinity, slightly increased β2/β1AR-selectivity, and/or substantially slower β2AR off-rates compared to (S)-alprenolol. Truncated bitopic ligands suggested the major contribution of the metastable pharmacophore to be a hydrophobic interaction with the β2AR, while the linkers alone decreased the potency of the orthosteric fragment. Altogether, the study underlines the potential of targeting MBSs for improving the pharmacol. profiles of ligands. The experimental process involved the reaction of (R)-Oxiran-2-ylmethanol(cas: 57044-25-4Reference of (R)-Oxiran-2-ylmethanol)

(R)-Oxiran-2-ylmethanol(cas: 57044-25-4) is a chiral building block used to construct an epoxyvinyl iodide intermediate in a synthesis of a furanocembrane, a marine natural product.Reference of (R)-Oxiran-2-ylmethanol

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Alcohol – Wikipedia,
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COA of Formula: C13H11ClOOn March 14, 1997, Kline, Richard H.; Izenwasser, Sari; Katz, Jonathan L.; Joseph, David B.; Bowen, Wayne D.; Newman, Amy Hauck published an article in Journal of Medicinal Chemistry. The article was 《3′-Chloro-3α-(diphenylmethoxy)tropane But Not 4′-Chloro-3α-(diphenylmethoxy)tropane Produces a Cocaine-like Behavioral Profile》. The article mentions the following:

A series of 2′- and 3′-substituted and 3′,3”-disubstituted 3α-(diphenylmethoxy)tropane analogs were designed and synthesized as novel probes for the dopamine transporter. All the analogs were evaluated for displacement of [3H]WIN 35,428 binding at the dopamine transporter and for inhibition of [3H]dopamine uptake in rat caudate putamen. Compounds were observed to monophasically displace [3H]WIN 35,428 binding to the dopamine transporter with affinities of 21.6-1836 nM (Ki). Generally, meta-substituted compounds were more potent than benztropine and equipotent to or slightly less potent than their previously reported para-substituted homologs in inhibiting [3H]WIN 35,428 binding. However, these same meta-substituted analogs were typically less potent than the 4′-substituted analogs in inhibiting [3H]dopamine uptake. Ortho-substituted analogs were generally less potent in both binding and inhibition of uptake at the dopamine transporter than either benztropine or other aryl-substituted homologs. The analogs were also tested for binding at norepinephrine and serotonin transporters as well as muscarinic M1 receptors. None of the compounds in the present study bound with high affinity to either the norepinephrine or serotonin transporters, but all bound to muscarinic M1 receptors with high affinity (Ki = 0.41-2.52 nM). Interestingly, 3′-chloro-3α-(diphenylmethoxy)tropane produced effects like cocaine in animals trained to discriminate 10 mg/kg cocaine from saline, unlike its 4′-Cl homolog and all of the previously evaluated benztropine analogs. Further evaluation of 3′-chloro-3-(diphenylmethoxy)tropane and the other benztropine analogs will undoubtedly prove useful in the elucidation of the role of the dopamine transporter in the reinforcing effects of cocaine and the ultimate identification of a cocaine-abuse treatment. In the experimental materials used by the author, we found (3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3COA of Formula: C13H11ClO)

(3-Chlorophenyl)(phenyl)methanol(cas: 63012-03-3) belongs to hydroxy-containing compounds. Hydroxy groups participate in the dehydration reactions that link simple biological molecules into long chains. The creation of a peptide bond to link two amino acids to make a protein removes the −OH from the carboxy group of one amino acid.COA of Formula: C13H11ClO

Referemce:
Alcohol – Wikipedia,
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Agarwal, Sameer; Sasane, Santosh; Deshmukh, Prashant; Rami, Bhadresh; Bandyopadhyay, Debdutta; Giri, Poonam; Giri, Suresh; Jain, Mukul; Desai, Ranjit C. published their research in ACS Medicinal Chemistry Letters on December 8 ,2016. The article was titled 《Identification of an Orally Efficacious GPR40/FFAR1 Receptor Agonist》.SDS of cas: 865233-35-8 The article contains the following contents:

GPR40/FFAR1 is a G protein-coupled receptor predominantly expressed in pancreatic β-cells and activated by long-chain free fatty acids, mediating enhancement of glucose-stimulated insulin secretion. A novel series of substituted 3-(4-aryloxyaryl)propanoic acid derivatives were prepared and evaluated for their activities as GPR40 agonists, leading to the identification of compound 5, which is highly potent in in vitro assays and exhibits robust glucose lowering effects during an oral glucose tolerance test in nSTZ Wistar rat model of diabetes (ED50 = 0.8 mg/kg; ED90 = 3.1 mg/kg) with excellent pharmacokinetic profile, and devoid of cytochromes P 450 isoform inhibitory activity. In the experiment, the researchers used (S)-3-(4-Hydroxyphenyl)hex-4-ynoic acid(cas: 865233-35-8SDS of cas: 865233-35-8)

(S)-3-(4-Hydroxyphenyl)hex-4-ynoic acid(cas: 865233-35-8) belongs to alkynes. The addition of nonpolar E−H bonds across C≡C is general for silanes, boranes, and related hydrides.SDS of cas: 865233-35-8 The hydroboration of alkynes gives vinylic boranes which oxidize to the corresponding aldehyde or ketone. In the thiol-yne reaction the substrate is a thiol.

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Alcohol – Wikipedia,
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Lucas, Simon C. C.; Atkinson, Stephen J.; Chung, Chun-wa; Davis, Rob; Gordon, Laurie; Grandi, Paola; Gray, James J. R.; Grimes, Thomas; Phillipou, Alexander; Preston, Alex G.; Prinjha, Rab K.; Rioja, Inmaculada; Taylor, Simon; Tomkinson, Nicholas C. O.; Wall, Ian; Watson, Robert J.; Woolven, James; Demont, Emmanuel H. published their research in Journal of Medicinal Chemistry on August 12 ,2021. The article was titled 《Optimization of a Series of 2,3-Dihydrobenzofurans as Highly Potent, Second Bromodomain (BD2)-Selective, Bromo and Extra-Terminal Domain (BET) Inhibitors》.Name: 4,4-Diethoxybutan-1-amine The article contains the following contents:

Herein, a series of 2,3-dihydrobenzofurans have been developed as highly potent bromo and extra-terminal domain (BET) inhibitors with 1000-fold selectivity for the second bromodomain over the first bromodomain. Investment in the development of two orthogonal synthetic routes delivered inhibitors that were potent and selective but had raised in vitro clearance and suboptimal solubility Insertion of a quaternary center into the 2,3-dihydrobenzofuran core blocked a key site of metabolism and improved the solubility This led to the development of inhibitor I (GSK852): a potent, 1000-fold-selective, highly soluble compound with good in vivo rat and dog pharmacokinetics. In the part of experimental materials, we found many familiar compounds, such as 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Name: 4,4-Diethoxybutan-1-amine)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Amines have a free lone pair with which they can coordinate to metal centers. Amine–metal bonds are weaker because amines are incapable of backbonding, but they are still important for sensing applications.While stronger than hydrogen bonds, amine–metal bonds are still weaker than both covalent and ionic bonds.Name: 4,4-Diethoxybutan-1-amine

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Sitte, Nikolai A.; Ghiringhelli, Francesca; Shevchenko, Grigory A.; Rominger, Frank; Hashmi, A. Stephen K.; Schaub, Thomas published an article in Advanced Synthesis & Catalysis. The title of the article was 《Copper-Catalysed Synthesis of Propargyl Alcohol and Derivatives from Acetylene and other Terminal Alkynes》.Computed Properties of C8H7NO The author mentioned the following in the article:

A copper(I)/phosphine system that homogeneously catalyzed the alkynylation of formaldehyde with acetylene or terminal alkynes to afford propargyl alc. and derivatives RCCCH2OH [R = Ph, 4-MeOC6H4, 3-HOC6H4, etc.] was reported. Using acetylene at atm. pressure, the catalyst consisting of <1 mol% copper(I) phenylacetylide and a trialkyl bisphosphine ligand showed a high selectivity toward the formation of propargyl alcs. rather than 1,4-butynediol, which was not reported for common heterogeneous copper acetylide catalysts. The biphasic water/toluene reaction mixture allowed the separation of targeted products with the aqueous layer and catalyst recycling via the organic layer. In addition to this study using 3-(4-Pyridyl)-2-propyn-1-ol, there are many other studies that have used 3-(4-Pyridyl)-2-propyn-1-ol(cas: 93524-95-9Computed Properties of C8H7NO) was used in this study.

3-(4-Pyridyl)-2-propyn-1-ol(cas: 93524-95-9) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.Computed Properties of C8H7NO

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Alcohol – Wikipedia,
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The author of 《Efficient labeling of organic molecules using 13C elemental carbon: Universal access to 13C2-labeled synthetic building blocks, polymers and pharmaceuticals》 were Ledovskaya, Maria S.; Voronin, Vladimir V.; Rodygin, Konstantin S.; Ananikov, Valentine P.. And the article was published in Organic Chemistry Frontiers in 2020. COA of Formula: C12H20O6 The author mentioned the following in the article:

Among different types of labeling, 13C-labeled compounds are the most demanding in organic chem., life sciences and materials design. However, 13C-labeled organic mols. are very difficult to employ in practice due to extreme cost. The rather narrow range of labeled organic starting materials and the absence of universal synthetic building units further complicate the problem and make utilization of 13C-labeled mols. hardly possible in many cases. Here, we report a versatile approach for 13C2-labeling of organic mols. starting with 13C elemental carbon: 13C carbon is applied for the synthesis of calcium carbide (Ca13C2), which is subsequently used to generate acetylene – a universal 13C2 unit for atom-economic organic transformations. Syntheses of labeled alkynes, O,S,N-functionalized vinyl derivatives, polymers and pharmaceutical substances were demonstrated. Elemental 13C carbon, as the chem. most simple source for 13C2-labeling, was successfully combined with universal synthetic applicability of alkynes. In the experimental materials used by the author, we found ((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6COA of Formula: C12H20O6)

((3aS,5aR,8aR,8bS)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4′,5′-d]pyran-3a-yl)methanol(cas: 20880-92-6) is a useful reactant for examining the effectiveness of sulfamate and sulfamide groups for the inhibition of carbonic anhydrase-​II (CA-​II)​. And it is used as chiral auxiliaries in Michael and Aldol addition reactions.COA of Formula: C12H20O6

Referemce:
Alcohol – Wikipedia,
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In 2010,Palmer, Andreas M.; Chiesa, Vittoria; Schmid, Anja; Muench, Gabriela; Grobbel, Burkhard; Zimmermann, Peter J.; Brehm, Christof; Buhr, Wilm; Simon, Wolfgang-Alexander; Kromer, Wolfgang; Postius, Stefan; Volz, Jurgen; Hess, Dietmar published 《Tetrahydrochromenoimidazoles as Potassium-Competitive Acid Blockers (P-CABs): Structure – Activity Relationship of Their Antisecretory Properties and Their Affinity toward the hERG Channel》.Journal of Medicinal Chemistry published the findings.Electric Literature of C3H8ClNO The information in the text is summarized as follows:

Potassium-competitive acid blockers constitute a new therapeutic option for the treatment of acid-related diseases that are widespread and constitute a significant economical burden. Enantiomerically pure (tetrahydro)chromenoimidazoles I [R1 = 2-MeC6H4, R2 = Et, R3 = H; R1 = 2-(c-C3H5)C6H4, R2 = R3 = Me, etc.] were prepared using either the readily available candidate I (R1 = 2-MeC6H4, R2 = R3 = Me) as starting material or where the Noyori asym. reduction of ketones, e.g., II, was the key reaction. A comprehensive SAR regarding the influence of the 5-carboxamide and the 8-aryl residue on in vitro activity, acid-suppression in the Ghosh Schild rat, and affinity toward the hERG channel was established. In addition, efficacy and duration of the antisecretory action was examined for the most promising target compounds by 24 h pH-metry in the fistula dog and a significantly different SAR was observed as compared to the Ghosh Schild rat. Several (tetrahydro)chromenoimidazoles were identified that possessed a comparable profile as the candidate I (R1 = 2-MeC6H4, R2 = R3 = Me). In the part of experimental materials, we found many familiar compounds, such as Azetidin-3-ol hydrochloride(cas: 18621-18-6Electric Literature of C3H8ClNO)

Azetidin-3-ol hydrochloride(cas:18621-18-6) is one of azetidine.Azetidines (azacyclobutanes) constitute a well-known class of heterocyclic compounds. Azetidine scaffold has been discovered in several natural products.Electric Literature of C3H8ClNO Several pharmacologically important synthetic compounds also contain azetidine ring. Because of inherent ring strain, the synthesis of azetidines is a challenging endeavor.

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Alcohol – Wikipedia,
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