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

Details

Stereochemistry ABSOLUTE
Molecular Formula C29H31ClFN5O5
Molecular Weight 584.038
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ASTX-029

SMILES

COC1=CC(F)=CC(=C1)[C@@H](CO)NC(=O)[C@@H](C)N2CC3=C(C=C(C=C3)C4=NC(NC5CCOCC5)=NC=C4Cl)C2=O

InChI

InChIKey=BVRGQPJKSKKGIH-PUAOIOHZSA-N
InChI=1S/C29H31ClFN5O5/c1-16(27(38)34-25(15-37)19-9-20(31)12-22(10-19)40-2)36-14-18-4-3-17(11-23(18)28(36)39)26-24(30)13-32-29(35-26)33-21-5-7-41-8-6-21/h3-4,9-13,16,21,25,37H,5-8,14-15H2,1-2H3,(H,34,38)(H,32,33,35)/t16-,25-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ASTX-029
Code English
ASTX 029 [WHO-DD]
Common Name English
ASTX029
Code English
2H-ISOINDOLE-2-ACETAMIDE, 6-(5-CHLORO-2-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-4-PYRIMIDINYL)-N-((1S)-1-(3-FLUORO-5-METHOXYPHENYL)-2-HYDROXYETHYL)-1,3-DIHYDRO-.ALPHA.-METHYL-1-OXO-, (.ALPHA.R)-
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C155785
Created by admin on Sat Dec 16 18:54:13 GMT 2023 , Edited by admin on Sat Dec 16 18:54:13 GMT 2023
PRIMARY
SMS_ID
300000024859
Created by admin on Sat Dec 16 18:54:13 GMT 2023 , Edited by admin on Sat Dec 16 18:54:13 GMT 2023
PRIMARY
PUBCHEM
129053037
Created by admin on Sat Dec 16 18:54:13 GMT 2023 , Edited by admin on Sat Dec 16 18:54:13 GMT 2023
PRIMARY
FDA UNII
14FDK6ISC9
Created by admin on Sat Dec 16 18:54:13 GMT 2023 , Edited by admin on Sat Dec 16 18:54:13 GMT 2023
PRIMARY
CAS
2095719-92-7
Created by admin on Sat Dec 16 18:54:13 GMT 2023 , Edited by admin on Sat Dec 16 18:54:13 GMT 2023
PRIMARY