U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C23H26N10O3
Molecular Weight 490.5177
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PURINOSTAT

SMILES

CN(CC1=NC2=C(N=C(N=C2N1C)C3=CC=C(N)C=C3)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO

InChI

InChIKey=WZIGNCHAFITFNX-UHFFFAOYSA-N
InChI=1S/C23H26N10O3/c1-31(23-25-11-15(12-26-23)22(34)30-35)13-17-27-18-20(32(17)2)28-19(14-3-5-16(24)6-4-14)29-21(18)33-7-9-36-10-8-33/h3-6,11-12,35H,7-10,13,24H2,1-2H3,(H,30,34)

HIDE SMILES / InChI

Molecular Formula C23H26N10O3
Molecular Weight 490.5177
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 Dec 16 17:26:43 GMT 2023
Edited
by admin
on Sat Dec 16 17:26:43 GMT 2023
Record UNII
FTV8V4AYQ8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PURINOSTAT
Common Name English
2-(((2-(4-AMINOPHENYL)-9-METHYL-6-(4-MORPHOLINYL)-9H-PURIN-8-YL)METHYL)METHYLAMINO)-N-HYDROXY-5-PYRIMIDINECARBOXAMIDE
Systematic Name English
5-PYRIMIDINECARBOXAMIDE, 2-(((2-(4-AMINOPHENYL)-9-METHYL-6-(4-MORPHOLINYL)-9H-PURIN-8-YL)METHYL)METHYLAMINO)-N-HYDROXY-
Systematic Name English
Code System Code Type Description
FDA UNII
FTV8V4AYQ8
Created by admin on Sat Dec 16 17:26:44 GMT 2023 , Edited by admin on Sat Dec 16 17:26:44 GMT 2023
PRIMARY
NCI_THESAURUS
C192176
Created by admin on Sat Dec 16 17:26:44 GMT 2023 , Edited by admin on Sat Dec 16 17:26:44 GMT 2023
PRIMARY
CAS
1929583-17-4
Created by admin on Sat Dec 16 17:26:44 GMT 2023 , Edited by admin on Sat Dec 16 17:26:44 GMT 2023
PRIMARY
PUBCHEM
122648367
Created by admin on Sat Dec 16 17:26:44 GMT 2023 , Edited by admin on Sat Dec 16 17:26:44 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IN-VIVO
TARGET -> INHIBITOR
IN-VIVO
TARGET -> INHIBITOR
IN-VIVO
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
IN-VIVO
TARGET -> INHIBITOR
IN-VIVO
TARGET -> INHIBITOR
IN-VIVO
Related Record Type Details
ACTIVE MOIETY
A potent class I and IIb HDAC-selective inhibitor. The class I HDAC family consists of HDAC1, 2, 3 and 8; The class IIb consists HDAC6 and HDAC10