6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)-

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)- Structure
CAS No.
202592-23-2
Chemical Name:
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)-
Synonyms
4-(4-chlorophenyl)-2;3-a][1;186491;CS-2891;6H-Thieno[3;9-trimethyl-;(+)-JQ1 (free acid);(+)-JQ1 (free acid);JQ-1 (carboxylic acid);(+)-JQ1 carboxylic acid
CBNumber:
CB62716095
Molecular Formula:
C19H17ClN4O2S
Molecular Weight:
400.88
MOL File:
202592-23-2.mol
Modify Date:
2024/7/2 8:55:13

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)- Properties

Boiling point 661.6±65.0 °C(Predicted)
Density 1.51±0.1 g/cm3(Predicted)
storage temp. Sealed in dry,Store in freezer, under -20°C
solubility DMSO:43.92(Max Conc. mg/mL);109.56(Max Conc. mM)
DMSO:PBS (pH 7.2) (1:4):0.2(Max Conc. mg/mL);0.5(Max Conc. mM)
DMF:20.0(Max Conc. mg/mL);49.89(Max Conc. mM)
Ethanol:27.55(Max Conc. mg/mL);68.72(Max Conc. mM)
form A crystalline solid
pka 4.11±0.10(Predicted)
color Off-white to yellow

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS07
Signal word  Warning
Hazard statements  H302-H315-H319-H335
Precautionary statements  P261-P305+P351+P338
NFPA 704
0
2 0

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)- Chemical Properties,Uses,Production

Uses

(+)-JQ1 Carboxylic Acid is a selective inhibitor of BET bromodomains.

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)- Preparation Products And Raw materials

Raw materials

Preparation Products

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6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid, 4-(4-chlorophenyl)-2,3,9-triMethyl-, (6S)- JQ-1 (carboxylic acid) (+)-JQ1 (free acid) (+)-JQ-1 CARBOXYLIC ACID; 6H-THIENO[3;2-F][1;2;4]TRIAZOLO[4;3-A][1;4]DIAZEPINE-6-ACETIC ACID; 4-(4-CHLOROPHENYL)-2;3;9-TRIMETHYL-; (6S)- 3-a][1 4]diazepine-6-acetic acid 6H-Thieno[3 9-trimethyl- (S)-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]acetic Acid CS-2891 (6S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetic acid 186491 (+)-JQ1 carboxylic acid 2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0,2,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetic acid 2-((6S)-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 4-(4-chlorophenyl)-2 (+)-JQ1 (free acid) Ceftobiprole Impurity 22 (6S) -4- (4-chlorophenyl) -2,3,9-trimethyl-6H thiopheno [3,2-F] [1,2,4] thiazolo [4,3-A] [1,4] diazaze-6-acetic acid 202592-23-2