GSK1324726A (I-BET726) structure, CAS 1300031-52-0

GSK1324726A (I-BET726)

CAS Number1300031-52-0

Synonyms4-((2S,4R)-1-acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid; 4-((2S,4R)-1-acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl)benzoic acid; 4-{(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}benzoic acid; GSK1324726A

Molecular FormulaC25H23O3N2Cl1

Molecular Weight434.92

Purity

Density1.3±0.1 g/cm3

Boiling Point707.3±60.0 °C at 760 mmHg

Melting Point

Flash Point

Appearancepowder

EINECS

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-1195251 Purity:
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Quality Control of [ 1300031-52-0 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number1300031-52-0
Catalog No.2A-1195251
Chinese NameGSK1324726A
Synonyms4-((2S,4R)-1-acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)benzoic acid; 4-((2S,4R)-1-acetyl-4-((4-chlorophenyl)amino)-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl)benzoic acid; 4-{(2S,4R)-1-Acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydro-6-quinolinyl}benzoic acid; GSK1324726A
Molecular FormulaC25H23O3N2Cl1
Molecular Weight434.92
Density1.3±0.1 g/cm3
Boiling Point707.3±60.0 °C at 760 mmHg
Appearancepowder
Storage Condition-20℃
ApplicationGSK1324726A is a potent and selective BET protein inhibitor that binds with high affinity to BRD2 (IC50=41 nM), BRD3 (IC50=31 nM) and BRD4 (IC50=22 nM).
MDL NumberMFCD28144683
SMILESCC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2C(Nc2ccc(Cl)cc2)CC1C
InChIInChI=1S/C25H23ClN2O3/c1-15-13-23(27-21-10-8-20(26)9-11-21)22-14-19(7-12-24(22)28(15)16(2)29)17-3-5-18(6-4-17)25(30)31/h3-12,14-15,23,27H,13H2,1-2H3,(H,30,31)/t15-,23+/m0/s1
InChI KeyFAWSUKOIROHXAP-NPMXOYFQSA-N
MSDSmsds/196937_1_1300031_52_0.pdf
Transport InfoProduct name: GSK1324726A (I-BET726)
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