Tag: M.W=150-200

Wu, Xiongyu; Oehrngren, Per; Ekegren, Jenny K.; Unge, Johan; Unge, Torsten; Wallberg, Hans; Samuelsson, Bertil; Hallberg, Anders; Larhed, Mats published the artcile< Two-Carbon-Elongated HIV-1 Protease Inhibitors with a Tertiary-Alcohol-Containing Transition-State Mimic>, Synthetic Route of 198904-53-9, the main research area is tertiary alc derivative preparation crystal structure HIV1 protease inhibitor.

A new generation of HIV-1 protease inhibitors encompassing a tertiary-alc.-based transition-state mimic has been developed. By elongation of the core structure of recently reported inhibitors with two carbon atoms and by varying the P1′ group of the compounds, efficient inhibitors were obtained with Ki down to 2.3 nM and EC50 down to 0.17 μM. Two inhibitor-enzyme x-ray structures are reported.

Journal of Medicinal Chemistry published new progress about AIDS (disease). 198904-53-9 belongs to class thiazole, and the molecular formula is C10H7NOS, Synthetic Route of 198904-53-9.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Wu, Yue; Guo, Peng; Chen, Long; Duan, Weijie; Yang, Zengzhuan; Wang, Tao; Chen, Ting; Xiong, Fei published the artcile< Iron-catalyzed tandem oxidative coupling and acetal hydrolysis reaction to prepare formylated benzothiazoles and isoquinolines>, COA of Formula: C7H9NO2S, the main research area is azole dioxolone iron tandem Minisci type oxidative coupling hydrolysis; carbonyl azole preparation green chem; isoquinoline dioxolone iron tandem Minisci type oxidative coupling hydrolysis; formylisoquinoline preparation green chem.

The direct formylation of benzothiazoles and isoquinolines was reported. The reaction features a novel iron-catalyzed Minisci-type oxidative coupling process using com. available 1,3-dioxolane as a formylated reagent followed by acetal hydrolysis without a separation process. The reaction was performed under exceedingly mild reaction conditions and exhibited broad functional group tolerance.

Chemical Communications (Cambridge, United Kingdom) published new progress about Alkyl aryl ketones Role: SPN (Synthetic Preparation), PREP (Preparation). 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, COA of Formula: C7H9NO2S.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Bi, Huihua; Zhou, Yu; Jiang, Wei; Liu, Jie published the artcile< Electrophotocatalytic C-H Hydroxyalkylation of Heteroaromatics with Aldehydes>, Synthetic Route of 20582-55-2, the main research area is heteroarene electrochem photochem Minisci hydroxyalkylation aldehyde; alc heteroaryl preparation.

A radical hydroxyalkylation of N-heteroaromatics with aldehydes is reported. The constructive merging of photochem. and electrochem. is the key for the success of this atom-economical Minisci method. This protocol highlights the utility of electrophotocatalysis to promote a practical and general synthesis of secondary alcs. in good yields from readily available N-heteroaromatics and aldehydes under mild reaction conditions.

Advanced Synthesis & Catalysis published new progress about Aldehydes Role: PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, Synthetic Route of 20582-55-2.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Farmer, Luc J.; Bemis, Guy; Britt, Shawn D.; Cochran, John; Connors, Martin; Harrington, Edmund M.; Hoock, Thomas; Markland, William; Nanthakumar, Suganthini; Taslimi, Paul; Ter Haar, Ernst; Wang, Jian; Zhaveri, Darshana; Salituro, Francesco G. published the artcile< Discovery and SAR of novel 4-thiazolyl-2-phenylaminopyrimidines as potent inhibitors of spleen tyrosine kinase (SYK)>, Electric Literature of 20582-55-2, the main research area is pyrimidine phenylamino thiazolyl derivative preparation tyrosine kinase inhibition SAR; phenylamino pyrimidine thiazole derivative preparation mast cell degranulation inhibition.

A series of SYK inhibitors based on the phenylamino pyrimidine thiazole lead, I, were prepared and evaluated for biol. activity. Lead optimization provided compounds with nanomolar Ki’s against SYK and potent inhibition in mast cell degranulation assays.

Bioorganic & Medicinal Chemistry Letters published new progress about Animal gene, c-src Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, Electric Literature of 20582-55-2.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Plouvier, Bertrand; Bailly, Christian; Houssin, Raymond; Henichart, Jean Pierre published the artcile< Synthesis of two new thiazole-containing oligopeptides as potential DNA minor groove binding analogs of netropsin>, Application of C7H10N2O2S, the main research area is netrospin thiazole analog DNA binding.

On the basis of previous studies on synthetic models related to the antibiotic agents netropsin and distamycin A, the design and synthesis of two potential DNA minor groove ligands I and II are described. I and II were prepared by liquid-phase peptide synthesis from the key compounds Et 2-amino-5-methylthiazole-4-carboxylate and Et 2-aminothiazole-5-carboxylate, resp.

Heterocycles published new progress about 72054-60-5. 72054-60-5 belongs to class thiazole, and the molecular formula is C7H10N2O2S, Application of C7H10N2O2S.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Komiyama, Masato; Tsuchiya, Hideyoshi; Teramoto, Mitsuru; Yajima, Naoki; Kurokawa, Masayuki; Minamizono, Kunio; Tsuchiya, Naoki; Kato, Yoshiaki; Sato, Yoshinori; Dohi, Masahiko published the artcile< Process Development of Febuxostat Using Palladium- and Copper-Catalyzed C-H Arylation>, Electric Literature of 20582-55-2, the main research area is Febuxostat process synthesis palladium copper catalyzed arylation thiazole bromoarene.

There is significant interest in the development of process routes for active pharmaceutical ingredients using C-H arylation methodol. An efficient and practical synthetic route for febuxostat, which is the first non-purine-type xanthine oxidase inhibitor, was established via palladium- and copper-catalyzed C-H arylation of thiazole with aryl bromide. The catalyst loading was reduced to 0.1 mol % for the intermol. C-H arylation, and a three-step synthesis produced febuxostat in 89% overall yield with excellent selectivity.

Organic Process Research & Development published new progress about Arylation. 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, Electric Literature of 20582-55-2.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Curreli, Francesca; Kwon, Young Do; Zhang, Hongtao; Scacalossi, Daniel; Belov, Dmitry S.; Tikhonov, Artur A.; Andreev, Ivan A.; Altieri, Andrea; Kurkin, Alexander V.; Kwong, Peter D.; Debnath, Asim K. published the artcile< Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity>, HPLC of Formula: 20582-55-2, the main research area is antiviral HIV AIDS.

Earlier the authors reported the discovery and design of NBD-556 and their analogs which demonstrated their potential as HIV-1 entry inhibitors. However, progress in developing these inhibitors has been stymied by their CD4-agonist properties, an unfavorable trait for use as drug. Here, the authors demonstrate the successful conversion of a full CD4-agonist (NBD-556) through a partial CD4-agonist (NBD-09027), to a full CD4-antagonist I (NBD-11021) by structure-based modification of the critical oxalamide mid-region, previously thought to be intolerant of modification. I showed unprecedented neutralization breath for this class of inhibitors, with pan-neutralization against a panel of 56 Env-pseudotyped HIV-1 representing diverse subtypes of clin. isolates (IC50 as low as 270 nM). The cocrystal structure of NBD-11021 complexed to a monomeric HIV-1 gp120 core revealed its detail binding characteristics. The study is expected to provide a framework for further development of NBD series as HIV-1 entry inhibitors for clin. application against AIDS.

Journal of Medicinal Chemistry published new progress about AIDS (disease). 20582-55-2 belongs to class thiazole, and the molecular formula is C7H9NO2S, HPLC of Formula: 20582-55-2.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Bilodeau, Mark T.; Rodman, Leonard D.; McGaughey, Georgia B.; Coll, Kathleen E.; Koester, Timothy J.; Hoffman, William F.; Hungate, Randall W.; Kendall, Richard L.; McFall, Rosemary C.; Rickert, Keith W.; Rutledge, Ruth Z.; Thomas, Kenneth A. published the artcile< The discovery of N-(1,3-thiazol-2-yl)pyridin-2-amines as potent inhibitors of KDR kinase>, Formula: C3HBrClNS, the main research area is thiazolyl pyridinamine preparation KDR kinase active site mol modeling; pyridinamine thiazolyl preparation KDR kinase ligand.

An azo-dye lead was modified to a N-(1,3-thiazol-2-yl)pyridin-2-amine series of KDR kinase inhibitors through the use of rapid analog libraries. The two lead compounds were N-butyl-N,3-dimethyl-4-[(5-nitro-2-thiazolyl)azo]benzenamine and N-(5-phenyl-2-thiazolyl)benzamide. This class has been found to be potent, selective, and of low mol. weight Mol. modeling has postulated an interesting conformational preference and binding mode for these compounds in the active site of the enzyme. A binding mode was proposed for the lead compound N-(5-phenyl-2-thiazolyl)-2-pyridinamine (I) in the KDR kinase active site.

Bioorganic & Medicinal Chemistry Letters published new progress about Chemical library. 3034-56-8 belongs to class thiazole, and the molecular formula is C3HBrClNS, Formula: C3HBrClNS.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Martel, Sophie; Gillerat, Fabrice; Carosati, Emanuele; Maiarelli, Daniele; Tetko, Igor V.; Mannhold, Raimund; Carrupt, Pierre-Alain published the artcile< Large, chemically diverse dataset of log P measurements for benchmarking studies>, SDS of cas: 72054-60-5, the main research area is dataset benchmark.

Lipophilicity is a crucial parameter in drug development since it impacts both ADME properties and target affinity of drug candidates. In early drug discovery stage, accurate tools for log P prediction are highly desired. Many calculation methods were developed to aid pharmaceutical scientists in drug research; however almost all suffer from insufficient accuracy and variation of performance in several regions of the chem. space associated with new chem. entities. The low predictive power of existing software packages can be explained by limited availability and/or variable quality of exptl. log P values associated with training set used, which stem from various protocols and poorly cover chem. space. In this study, a dataset of 1000 diverse test compounds out of 4.5 million was generated; log P values of 759 purchasable compounds (46% non-ionizable, 30% basic, 17% acidic, 0.5% zwitterionic and 6.5% ampholytes) from this selected set were exptl. determined by UHPLC followed by UV detection or MS detection when necessary. Finally, a data collection of 707 validated log P values ranging from 0.30 to 7.50 is now available for benchmarking of existing and development of new approaches to predict octanol/water partition coefficients of chem. compounds

European Journal of Pharmaceutical Sciences published new progress about Computer program. 72054-60-5 belongs to class thiazole, and the molecular formula is C7H10N2O2S, SDS of cas: 72054-60-5.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica

Wu, Xiongyu; Oehrngren, Per; Ekegren, Jenny K.; Unge, Johan; Unge, Torsten; Wallberg, Hans; Samuelsson, Bertil; Hallberg, Anders; Larhed, Mats published the artcile< Two-carbon-elongated HIV-1 protease inhibitors with a tertiary-alcohol-containing transition-state mimic. [Erratum to document cited in CA148:321837]>, Safety of 4-(Thiazol-2-yl)benzaldehyde, the main research area is erratum tertiary alc derivative crystal structure HIV1 protease inhibitor; tertiary alc derivative preparation HIV1 protease inhibitor erratum.

A printing problem relating to Scheme 3 on page 1055 resulted in the following errors; The corrected manuscript was reposted on March 14, 2008. On page 1054, left column, lines 29-30, 34-35, and 37-38, and in the right column, line 4, should indicated “”Scheme 3″” instead of “”Scheme UNDEFINED: PLEASE CHECK””. On page 1054, right column, line 5 ia the title to Scheme 3 appearing on page 1055; line 6-13 are the footnotes to Scheme 3. On page 1055, Table 1 should be in the right column while Scheme 3 should be in the left with the title “”Scheme 3. Synthesis of Inhibitors 12a-w and 13-15″” with its footnotes.

Journal of Medicinal Chemistry published new progress about AIDS (disease). 198904-53-9 belongs to class thiazole, and the molecular formula is C10H7NOS, Safety of 4-(Thiazol-2-yl)benzaldehyde.

Referemce:
Thiazole | C3H3NS – PubChem,
Thiazole | chemical compound | Britannica