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Details

Stereochemistry ACHIRAL
Molecular Formula C22H24ClN7O3S
Molecular Weight 501.9909
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(4-(6-((5-((2-CHLORO-6-METHYL-PHENYL)CARBAMOYL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ACETIC ACID

SMILES

Cc1cccc(c1N=C(c2cnc(Nc3cc(nc(C)n3)N4CCN(CC4)CC(=O)O)s2)O)Cl

InChI

InChIKey=VMCDXJFWSYUNPO-UHFFFAOYSA-N
InChI=1S/C22H24ClN7O3S/c1-13-4-3-5-15(23)20(13)28-21(33)16-11-24-22(34-16)27-17-10-18(26-14(2)25-17)30-8-6-29(7-9-30)12-19(31)32/h3-5,10-11H,6-9,12H2,1-2H3,(H,28,33)(H,31,32)(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C22H24ClN7O3S
Molecular Weight 501.9909
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 01:33:19 UTC 2021
Edited
by admin
on Sat Jun 26 01:33:19 UTC 2021
Record UNII
83FL89EU88
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(4-(6-((5-((2-CHLORO-6-METHYL-PHENYL)CARBAMOYL)THIAZOL-2-YL)AMINO)-2-METHYL-PYRIMIDIN-4-YL)PIPERAZIN-1-YL)ACETIC ACID
Systematic Name English
DASATINIB METABOLITE M6
Common Name English
1-PIPERAZINEACETIC ACID, 4-(6-((5-(((2-CHLORO-6-METHYLPHENYL)AMINO)CARBONYL)-2-THIAZOLYL)AMINO)-2-METHYL-4-PYRIMIDINYL)-
Common Name English
BMS-573188
Code English
Code System Code Type Description
PUBCHEM
11854012
Created by admin on Sat Jun 26 01:33:19 UTC 2021 , Edited by admin on Sat Jun 26 01:33:19 UTC 2021
PRIMARY
FDA UNII
83FL89EU88
Created by admin on Sat Jun 26 01:33:19 UTC 2021 , Edited by admin on Sat Jun 26 01:33:19 UTC 2021
PRIMARY
CAS
910297-53-9
Created by admin on Sat Jun 26 01:33:19 UTC 2021 , Edited by admin on Sat Jun 26 01:33:19 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE