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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H20Cl2N4O4S
Molecular Weight 555.432
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMS-587101

SMILES

CN1C(=O)N(C(=O)[C@]12CN(CC3=CC(=CS3)C(O)=O)C[C@H]2C4=CC=C(C=C4)C#N)C5=CC(Cl)=CC(Cl)=C5

InChI

InChIKey=NXNKJLOEGWSJGI-BKMJKUGQSA-N
InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P20701
Gene ID: 3683.0
Gene Symbol: ITGAL
Target Organism: Homo sapiens (Human)
280.0 nM [IC50]
PubMed

PubMed

TitleDatePubMed
Metabolite generation via microbial biotransformations with Actinomycetes: rapid screening for active strains and biosynthesis of important human metabolites of two development-stage compounds, 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101) and dasatinib.
2008-04
Patents
Name Type Language
BMS-587101
Preferred Name English
Code System Code Type Description
CAS
509083-77-6
Created by admin on Mon Mar 31 18:14:03 GMT 2025 , Edited by admin on Mon Mar 31 18:14:03 GMT 2025
PRIMARY
FDA UNII
5V7E4UQL93
Created by admin on Mon Mar 31 18:14:03 GMT 2025 , Edited by admin on Mon Mar 31 18:14:03 GMT 2025
PRIMARY
PUBCHEM
11635371
Created by admin on Mon Mar 31 18:14:03 GMT 2025 , Edited by admin on Mon Mar 31 18:14:03 GMT 2025
PRIMARY