37682-80-7

Basic information

• Product Name: Benzenepropanoic acid, a-isocyanato-, ethyl ester, (S)-
• CAS NO: 37682-80-7
• Molecular Formula: C12H13NO3
• Molecular Weight: 219.24
• Mol File: 37682-80-7.mol
• Article Data: 8

Chemical Properties

• CAS DataBase Reference: Benzenepropanoic acid, a-isocyanato-, ethyl ester, (S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenepropanoic acid, a-isocyanato-, ethyl ester, (S)-(37682-80-7)
• EPA Substance Registry System: Benzenepropanoic acid, a-isocyanato-, ethyl ester, (S)-(37682-80-7)

Safety Data

• Hazardous Substances Data: 37682-80-7(Hazardous Substances Data)

Upstream product

• 32315-10-9 bis(trichloromethyl) carbonate 
• 3081-24-1 H-Phe-OEt 
• 3182-93-2 (L)-phenylalanine ethyl ester hydrochloride 
• 124-38-9 carbon dioxide 
• 2446-83-5 di-isopropyl azodicarboxylate 
• 503-38-8 trichloromethyl chloroformate 
• 75-44-5 phosgene 

Downstream Products

• 1452185-37-3 ethyl 2-[4-(2-ethoxy-2-oxoethyl)-3,5-dioxo-1,2,4-thiadiazolidin-2-yl]-3-phenylpropanoate 
• 1280167-66-9 (2S)-ethyl 2-((((1-((4,8-bis((3,4-dimethoxybenzyl)amino)-6-((2-hydroxypropyl)amino)-pyrimido[5,4-d]pyrimidin-2-yl)amino)propan-2-yl)oxy)carbonyl)amino)-3-phenylpropanoate 
• 66919-79-7 N,N-Bis-<2-chloraethyl>-carbamoyl-L-phenylalanin-aethylester 

Relevant articles and documents

Fluorovinylsulfones and -Sulfonates as Potent Covalent Reversible Inhibitors of the Trypanosomal Cysteine Protease Rhodesain: Structure-Activity Relationship, Inhibition Mechanism, Metabolism, and in Vivo Studies

Rhodesain is a major cysteine protease of Trypanosoma brucei rhodesiense, a pathogen causing Human African Trypanosomiasis, and a validated drug target. Recently, we reported the development of α-halovinylsulfones as a new class of covalent reversible cysteine protease inhibitors. Here, α-fluorovinylsulfones/-sulfonates were optimized for rhodesain based on molecular modeling approaches. 2d, the most potent and selective inhibitor in the series, shows a single-digit nanomolar affinity and high selectivity toward mammalian cathepsins B and L. Enzymatic dilution assays and MS experiments indicate that 2d is a slow-tight binder (Ki = 3 nM). Furthermore, the nonfluorinated 2d-(H) shows favorable metabolism and biodistribution by accumulation in mice brain tissue after intraperitoneal and oral administration. The highest antitrypanosomal activity was observed for inhibitors with an N-terminal 2,3-dihydrobenzo[b][1,4]dioxine group and a 4-Me-Phe residue in P2 (2e/4e) with nanomolar EC50 values (0.14/0.80 μM). The different mechanisms of reversible and irreversible inhibitors were explained using QM/MM calculations and MD simulations.

THIADIAZOLIDINEDIONES AS GSK-3 INHIBITORS

The present invention relates to new thiadiazolidinediones of formula (I), or any pharmaceutically acceptable salt, solvate or prodrug thereof, and its use in the treatment of a disease in which glycogen synthase kinase 3 (GSK-3) is involved, particularly

Process for preparing N-t-butoxycarbonylphenylalanine ester

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