1268524-65-7

Basic information

• Product Name: Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-
• Synonyms: Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-;(S)-tert-butyl-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-{[3-(4-chlorobenzoyl)-4,5-dimethylthiophen-2-yl]amino}-4-oxobutanoate;SIWIRSIBDRMDFY-LJAQVGFWSA-N
• CAS NO: 1268524-65-7
• Molecular Formula: C₃₆H₃₅ClN₂O₆S
• Molecular Weight: 659.1909
• Mol File: 1268524-65-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 834.5±65.0 °C(Predicted)
• Appearance: /
• Density: 1.299±0.06 g/cm3(Predicted)
• PKA: 10.00±0.46(Predicted)
• CAS DataBase Reference: Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-(CAS DataBase Reference)
• NIST Chemistry Reference: Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-(1268524-65-7)
• EPA Substance Registry System: Butanoic acid, 4-[[3-(4-chlorobenzoyl)-4,5-diMethyl-2-thienyl]aMino]-3-[[(9H-fluoren-9-ylMethoxy)carbonyl]aMino]-4-oxo-, 1,1-diMethylethyl ester, (3S)-(1268524-65-7)

Safety Data

• Hazardous Substances Data: 1268524-65-7(Hazardous Substances Data)

Upstream product

• 50508-66-2 (2-amino-4,5-dimethylthiophen-3-yl)(4-chlorophenyl)methanone 
• 129460-09-9 Fmoc-Asp-O-t-Bu 
• 4640-66-8 p-chlorobenzoylacetonitrile 
• 873-76-7 para-Chlorobenzyl alcohol 

Downstream Products

• 1268524-71-5 (-)-JQ₁ 
• 1268524-70-4 (S)-tert-butyl 2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetate 
• 202592-23-2 (S)-[4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid 

Relevant articles and documents

Potent Dual BET/HDAC Inhibitors for Efficient Treatment of Pancreatic Cancer

As one of the most aggressive and lethal human malignancies with extremely poor prognosis, there is an urgent demand of more effective therapy for the treatment of pancreatic cancer. Reported here is a new, effective therapeutic strategy and the design of small-molecule inhibitors that simultaneously target bromodomain and extra-terminal (BET) and histone deacetylase (HDAC), potentially serving as promising therapeutic agents for pancreatic cancer. A highly potent dual inhibitor (13 a) is identified to possess excellent and balanced activities against BRD4 BD1 (IC50=11 nm) and HDAC1 (IC50=21 nm). Notably, this compound shows higher in vitro and in vivo antitumor potency than the BET inhibitor (+)-JQ1 and the HDAC inhibitor vorinostat, either alone or and in combination, highlighting the advantages of BET/HDAC dual inhibitors for more effective treatment of pancreatic cancer.

PROCESS FOR THE MANUFACTURE OF DIAZEPINE DERIVATIVES

The invention relates to a process for the manufacture of diazepine derivatives as defined in the description and in the claims.

Preparation of small-molecule microarrays by trans-cyclooctene tetrazine ligation and their application in the high-throughput screening of protein-protein interaction inhibitors of bromodomains

Fast and efficient: A library of trans-cyclooctene (TCO)-modified small molecules were immobilized on tetrazine-functionalized glass slides by using the fastest bioorthogonal reaction known. The resulting small-molecule microarray was screened against a variety of human bromodomains to identify protein-protein interaction inhibitors. Copyright