Tag: 100-200

《Discovery and Structure-Activity Relationships of Nociceptin Receptor Partial Agonists That Afford Symptom Ablation in Parkinson’s Disease Models》 was written by Kamakolanu, Uma Gayathri; Meyer, Michael E.; Yasuda, Dennis; Polgar, Willma E.; Marti, Matteo; Mercatelli, Daniela; Pisano, Clarissa Anna; Brugnoli, Alberto; Morari, Michele; Zaveri, Nurulain T.. Electric Literature of C3H8ClNO And the article was included in Journal of Medicinal Chemistry in 2020. The article conveys some information:

A novel series of C(3)-substituted piperdinylindoles were developed as nociceptin opioid receptor (NOP) partial agonists to explore a pharmacol. hypothesis that NOP partial agonists would afford a dual pharmacol. action of attenuating Parkinson’s disease (PD) motor symptoms and development of levodopa-induced dyskinesias. SAR around the C-3 substituents investigated effects on NOP binding, intrinsic activity, and selectivity and showed that while the C(3)-substituted indoles are selective, high affinity NOP ligands, the steric, polar, and cationic nature of the C-3 substituents affected intrinsic activity to afford partial agonists with a range of efficacies. Compounds 4, 5, and 9 with agonist efficacies between 25% and 35% significantly attenuated motor deficits in the 6-OHDA-hemilesioned rat model of PD. Further, unlike NOP antagonists, which appear to worsen dyskinesia expression, these NOP partial agonists did not attenuate or worsen dyskinesia expression. The NOP partial agonists and their SAR reported here may be useful to develop nondopaminergic treatments for PD. In addition to this study using Azetidin-3-ol hydrochloride, there are many other studies that have used Azetidin-3-ol hydrochloride(cas: 18621-18-6Electric Literature of C3H8ClNO) was used in this study.

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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《Hit-to-lead optimization of a latency-associated nuclear antigen inhibitor against Kaposi’s sarcoma-associated herpesvirus infections》 was written by Kirsch, Philine; Stein, Saskia C.; Berwanger, Aylin; Rinkes, Julia; Jakob, Valentin; Schulz, Thomas F.; Empting, Martin. Recommanded Product: 2-Hydroxyphenylboronic acid And the article was included in European Journal of Medicinal Chemistry in 2020. The article conveys some information:

The Latency-associated nuclear antigen (LANA) plays a central role for the latent persistence of the Kaposi’s Sarcoma Herpesvirus (KSHV) in the human host and helps to establish lifelong infections. Herein, we report our efforts towards hit-to-lead generation starting from a previously discovered LANA-DNA inhibitor. By tethering the viral genome to the host nucleosomes, LANA ensures the segregation and persistence of the viral DNA during mitosis. LANA is also required for the replication of the latent viral episome during the S phase of the cell cycle. We aim to inhibit the interaction between LANA and the viral genome to prevent the latent persistence of KSHV in the host organism. Medicinal chem.-driven optimization studies and structure-activity-relationship investigation led to the discovery of an improved LANA inhibitor. The functional activity of our compounds was evaluated using a fluorescence polarization (FP)-based interaction inhibition assay and electrophoretic mobility shift assay (EMSA). Even though a crystal structure of the ligand protein complex was not available, we successfully conducted hit optimization toward a low micromolar protein-nucleic acid-interaction inhibitor. Addnl., we applied STD-NMR studies to corroborate target binding and to gain insights into the binding orientation of our most potent inhibitor, providing opportunities for further rational design of more efficient LANA-targeting anti KSHV agents in future studies. After reading the article, we found that the author used 2-Hydroxyphenylboronic acid(cas: 89466-08-0Recommanded Product: 2-Hydroxyphenylboronic acid)

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA) has been used to extract β-blockers (a class of aminoalcohol-containing drugs) from aqueous solution, rat, and human plasma. Recommanded Product: 2-Hydroxyphenylboronic acid

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《Hierarchical Structure with an Unusual Honeycomb Fullerene Scaffold by a Fullerene-Triphenylene Shape Amphiphile》 was written by Zhang, Wei; Cao, Yan; Lai, Ziwei; Yu, Shichen; Yang, Tingbin; Liu, Xilan; Guo, Qing-Yun; Liu, Yuchu; Chen, Wei; Huang, Mingjun; Wang, Jing; Cheng, Stephen Z. D.. Application In Synthesis of 3-Bromopropan-1-ol And the article was included in Macromolecules (Washington, DC, United States) in 2020. The article conveys some information:

Shape amphiphiles are a class of mols., which contain distinct shapes of building blocks with competing interactions. The building blocks in one mol. are forced connected through chem. bonds, resulting in competition and cooperation of interactions and packings, which leads to interesting assembled structures. In this work, we have designed and synthesized sphere-triangle shape amphiphiles composed of C60 and triphenylene (C60-TP). C60-TP exhibits a hexagonal lattice with unit cell parameters of a = b = 1.98 nm, c = 4.52 nm, and γ = 120°. Also, for the first time, we demonstrated a three-dimensional layered structure with novel honeycomb C60 scaffolds. The coordination number of C60 in the hexagonal lattice plane is tuned to be four, instead of six in a traditional hexagonal close packing. This new type of hexagonal nonclose packing formed by the spatial packing effect of TP moiety could provide general implications for tuning symmetry in hierarchical structures. In the part of experimental materials, we found many familiar compounds, such as 3-Bromopropan-1-ol(cas: 627-18-9Application In Synthesis of 3-Bromopropan-1-ol)

3-Bromopropan-1-ol(cas: 627-18-9) was used in the synthesis of fluorescent halide-sensitive quinolinium dyes and molten salt-polymers. Furthermore, it was used in the synthesis of chiral, quaternary prolines via cyclization of quaternary amino acids.Application In Synthesis of 3-Bromopropan-1-ol

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Safety of 4,4-Diethoxybutan-1-amineOn September 28, 2020 ,《Direct Reductive Amination of Camphor Using Iron Pentacarbonyl as Stoichiometric Reducing Agent: Features and Limitations》 was published in European Journal of Organic Chemistry. The article was written by Afanasyev, Oleg I.; Fatkulin, Artemy R.; Solyev, Pavel N.; Smirnov, Ivan; Amangeldyev, Artem; Semenov, Sergey E.; Chusov, Denis. The article contains the following contents:

The method of direct reductive amination of camphor and fenchone was proposed. The most effective reducing agent is iron pentacarbonyl. No ligands or solvents are needed. The stereochem. of the corresponding products was determined by HMBC, HSQC, and NOESY spectra. The limitations of the method were shown. The reaction of camphor with primary amines led to exclusively exo product, while the reaction of fenchone led to exclusively endo product. The reaction of camphor with cyclic secondary amines led to the mixture of endo and exo isomers. The experimental process involved the reaction of 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Safety of 4,4-Diethoxybutan-1-amine)

4,4-Diethoxybutan-1-amine(cas: 6346-09-4) belongs to anime. Acylation is one of the most important reactions of primary and secondary amines; a hydrogen atom is replaced by an acyl group (a group derived from an acid, such as RCOOH or RSO3H, by removal of ―OH, such as RC(=O)―, RS(O)2―, and so on). Reagents may be acid chlorides (RCOC1, RSO2C1), anhydrides ((RCO)2O), or even esters (RCOOR′); the products are amides of the corresponding acids.Safety of 4,4-Diethoxybutan-1-amine

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Application of 6346-09-4On October 31, 2019 ,《Synthesis of 2-(Diphenylphosphoryl)pyrrolidine-1-carboxamides Based on the Reaction of 1-(4,4-Diethoxybutyl)ureas with Diphenyl Chlorophosphine》 appeared in Russian Journal of General Chemistry. The author of the article were Smolobochkin, A. V.; Turmanov, R. A.; Gazizov, A. S.; Appazov, N. O.; Burilov, A. R.; Pudovik, M. A.. The article conveys some information:

The reactions of 1-(4,4-diethoxybutyl)ureas with di-Ph chlorophosphine in the presence of acetic acid afforded new 2-(diphenylphosphoryl)pyrrolidine-1-carboxamides. The results came from multiple reactions, including the reaction of 4,4-Diethoxybutan-1-amine(cas: 6346-09-4Application of 6346-09-4)

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.Application of 6346-09-4

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Computed Properties of C6H12O6On November 20, 2019 ,《Ellagitannins with Glucopyranose Cores Have Higher Affinities to Proteins than Acyclic Ellagitannins by Isothermal Titration Calorimetry》 appeared in Journal of Agricultural and Food Chemistry. The author of the article were Karonen, Maarit; Oraviita, Marianne; Mueller-Harvey, Irene; Salminen, Juha-Pekka; Green, Rebecca J.. The article conveys some information:

The thermodn. of the interactions of different ellagitannins with two proteins, namely, bovine serum albumin (BSA) and gelatin, were studied by isothermal titration calorimetry. Twelve individual ellagitannins, including different monomers, dimers, and a trimer, were used. The studies showed that several structural features affected the interaction between the ellagitannin and the protein. The interactions of ellagitannins with proteins were stronger with gelatin than with BSA. The ellagitannin-gelatin interactions contained both the primary stronger and the secondary weaker binding sites. The ellagitannin-BSA interactions showed very weak secondary interactions. The ellagitannins with glucopyranose cores had stronger interaction than C-glycosidic ellagitannins with both proteins. In addition, the observed enthalpy change increased as the degree of oligomerization increased. The stronger interactions were also observed with free galloyl groups in the ellagitannin structure and with higher mol. flexibility. Other smaller structural features did not show any overall trend. In the experimental materials used by the author, we found rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1Computed Properties of C6H12O6)

rel-(3R,4S,5S,6R)-6-(Hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetraol(cas: 54-17-1) is the monohydrate form of the alpha isoform of D-glucopyranose, a synthetic simple monosaccharide that is used as an energy source.Computed Properties of C6H12O6

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Recommanded Product: 4-Butylbenzene-1,2-diolOn October 31, 2006 ,《Characterization of alkylphenol degradation gene cluster in Pseudomonas putida MT4 and evidence of oxidation of alkylphenols and alkylcatechols with medium-length alkyl chain》 appeared in Journal of Bioscience and Bioengineering. The author of the article were Takeo, Masahiro; Prabu, Subbuswamy K.; Kitamura, Chitoshi; Hirai, Makoto; Takahashi, Hana; Kato, Dai-ichiro; Negoro, Seiji. The article conveys some information:

Alkylphenols (APs) are ubiquitous contaminants in aquatic environments and have endocrine disrupting and toxic effects on aquatic organisms. To investigate biodegradation mechanisms of APs, an AP degradation gene cluster was cloned from a butylphenol (BP)-degrading bacterium, Pseudomonas putida MT4. The gene cluster consisted of 13 genes named bupBA1A2A3A4A5A6CEHIFG. From the nucleotide sequences, bupA1A2A3A4A5A6 were predicted to encode a multicomponent phenol hydroxylase (PH), whereas bupBCEHIFG were expected to encode meta-cleavage pathway enzymes. A partial sequence of a putative NtrC-type regulatory gene, bupR, was also found up-stream of the gene bupB. This result indicates that APs can be initially oxidized into alkylcatechols (ACs), followed by the meta-cleavage of the aromatic rings. To confirm this pathway, AP degradation tests were carried out using the recombinant P. putida KT2440 harboring the PH genes (bupA1A2A3A4A5A6). The recombinant strain oxidized 4-n-APs with an alkyl chain of up to C7 (≤C7) efficiently and also several BPs including those with an alkyl chain with some degree of branching. Therefore, it was found that PH had a broad substrate specificity for APs with a medium-length alkyl chain (C3-C7). Moreover, the cell extract of a recombinant Escherichia coli harboring bupB (a catechol 2,3-dioxygenase gene) converted 4-n-ACs with an alkyl chain of ≤C9 into yellow meta-cleavage products with a maximum absorbance at 379 nm, indicating that the second step enzyme in this pathway is also responsible for the degradation of ACs with a medium-length alkyl chain. These results suggest that MT4 is a very useful strain in the biodegradation of a wide range of APs with a medium-length alkyl chain, which known nonylphenol-degrading Sphingomonas strains have never degraded. After reading the article, we found that the author used 4-Butylbenzene-1,2-diol(cas: 2525-05-5Recommanded Product: 4-Butylbenzene-1,2-diol)

4-Butylbenzene-1,2-diol(cas: 2525-05-5) belongs to organoboron compounds. Organoboron compounds are versatile intermediates and as such are some of the most important classes of reagents in modern organic chemistry. Organoboron compounds are less toxic than organostannane reagents, and unlike alkynylzinc and magnesium, many organoboron compounds possess remarkable oxidative and thermal stabilities. Recommanded Product: 4-Butylbenzene-1,2-diol

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COA of Formula: C10H14O2On October 31, 2007 ,《Purification and characterization of alkylcatechol 2,3-dioxygenase from butylphenol degradation pathway of Pseudomonas putida MT4》 appeared in Journal of Bioscience and Bioengineering. The author of the article were Takeo, Masahiro; Nishimura, Munehiro; Takahashi, Hana; Kitamura, Chitoshi; Kato, Dai-ichiro; Negoro, Seiji. The article conveys some information:

Alkylcatechol 2,3-dioxygenase was purified from the cell extract of recombinant Escherichia coli JM109 harboring the alkylcatechol 2,3-dioxygenase gene (bupB) cloned from the butylphenol-degrading bacterium Pseudomonas putida MT4. The purified enzyme (BupB) showed relative meta-cleavage activities for the following catechols: catechol (100%), 4-methylcatechol (572%), 4-n-butylcatechol (185%), 4-n-hexylcatechol (53%), 4-n-heptylcatechol (45%), 4-n-nonylcatechol (10%), 4-tert-butylcatechol (0%), and 3-methylcatechol (33%). The kinetic parameters, namely, Km and Vmax, for catechol, 4-methylcatechol, and 4-n-butylcatechol, were 23.4, 8.4, and 6.5 μM and 25.8, 76.9, and 18.0 U mg-1, resp. These results suggest that BupB has broad substrate specificity for 4-n-alkylcatechols.4-Butylbenzene-1,2-diol(cas: 2525-05-5COA of Formula: C10H14O2) was used in this study.

4-Butylbenzene-1,2-diol(cas: 2525-05-5) belongs to organoboron compounds. Organoboron compounds are versatile intermediates and as such are some of the most important classes of reagents in modern organic chemistry.COA of Formula: C10H14O2 Organoboron compounds are less toxic than organostannane reagents, and unlike alkynylzinc and magnesium, many organoboron compounds possess remarkable oxidative and thermal stabilities.

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《Titanium Salen Complexes with Appended Silver NHC Groups as Nucleophilic Carbene Reservoir for Cooperative Asymmetric Lewis Acid/NHC Catalysis》 was written by Latendorf, Katja; Mechler, Melanie; Schamne, Irina; Mack, Daniel; Frey, Wolfgang; Peters, Rene. COA of Formula: C9H11NOThis research focused ontitanium salen complex silver NHC preparation asym dimerization catalyst. The article conveys some information:

Lewis acid catalysis and nucleophilic carbene catalysis are complementary fundamental concepts to accelerate and control chem. reactions of aldehyde substrates. Their efficient merger has recently been achieved using two sep. catalyst species. The present report describes our efforts to develop a cooperative catalyst system which incorporates both features – Lewis acid and nucleophilic NHC – within the same catalyst entity. To generate free carbene moieties under very mild conditions, Ag-NHC complexes were formed releasing the nucleophilic carbene upon treatment with PPh3. The result is the formation of an enol-δ-lactone as new enal dimerization product. Silver is essential for the reactivity mode thus suggesting that it plays a double role in the catalytic event. In addition to this study using (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol, there are many other studies that have used (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7COA of Formula: C9H11NO) was used in this study.

(1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol(cas: 126456-43-7) belongs to anime. Nitrous acid converts secondary amines (aliphatic or aromatic) to N-nitroso compounds (nitrosamines): R2NH + HNO2 → R2N―NO. Some nitrosamines are potent cancer-inducing substances, and their possible formation is a serious consideration when nitrites, which are salts of nitrous acid, are present in foods or pharmaceutical preparations. Tertiary amines give rise to nitrosamines more slowly; an alkyl group is eliminated as an aldehyde or ketone, along with nitrous oxide, N2O.COA of Formula: C9H11NO

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Product Details of 89466-08-0In 2021 ,《Design, synthesis and pharmacological evaluation of bicyclic and tetracyclic pyridopyrimidinone analogs as new KRASG12C inhibitors》 was published in European Journal of Medicinal Chemistry. The article was written by Xiao, Xuanzheng; Lai, Mengzhen; Song, Zilan; Geng, Meiyu; Ding, Jian; Xie, Hua; Zhang, Ao. The article contains the following contents:

KRAS is the most commonly altered oncogene of the RAS family, especially the G12C mutant (KRASG12C), which has been a promising drug target for many cancers. On the basis of the bicyclic pyridopyrimidinone framework of the first-in-class clin. KRASG12C inhibitor AMG510, a scaffold hopping strategy was conducted including a F-OH cyclization approach and a pyridinyl N-atom working approach leading to new tetracyclic and bicyclic analogs. Compound (I) was identified possessing binding potency of 1.87μM against KRASG12C and cell growth inhibition of 0.79μM in MIA PaCa-2 pancreatic cancer cells. Treatment of I with NCI-H358 cells resulted in down-regulation of KRAS-GTP levels and reduction of phosphorylation of downstream ERK and AKT dose-dependently. Mol. docking suggested that the fluorophenol moiety of I occupies a hydrophobic pocket region thus forming hydrogen bonding to Arg68. These results will be useful to guide further structural modification.2-Hydroxyphenylboronic acid(cas: 89466-08-0Product Details of 89466-08-0) was used in this study.

2-Hydroxyphenylboronic acid(cas: 89466-08-0) belongs to acyl phenylboronic acid. Phenylboronic acid (PBA), a synthetic molecule applied in RNA affinity chromatography, is able to form reversible covalent ester bonds with 1,2- or 1,3-cis-doils on the ribose ringProduct Details of 89466-08-0

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