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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H23FN6O6S
Molecular Weight 506.507
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAS-4464

SMILES

CCOC1=C(C#CC2=CN([C@@H]3O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]3O)C4=C2C(N)=NC=N4)C(F)=CC=C1

InChI

InChIKey=TZTRUHFXPVXWRD-QTQZEZTPSA-N
InChI=1S/C21H23FN6O6S/c1-2-33-14-5-3-4-13(22)12(14)7-6-11-9-28(20-16(11)19(23)25-10-26-20)21-18(30)17(29)15(34-21)8-27-35(24,31)32/h3-5,9-10,15,17-18,21,27,29-30H,2,8H2,1H3,(H2,23,25,26)(H2,24,31,32)/t15-,17-,18-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H23FN6O6S
Molecular Weight 506.507
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:46:48 GMT 2025
Edited
by admin
on Tue Apr 01 20:46:48 GMT 2025
Record UNII
YP58GC6E9L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAS4464
Preferred Name English
TAS-4464
Code English
7H-Pyrrolo[2,3-d]pyrimidin-4-amine, 7-[5-[(aminosulfonyl)amino]-5-deoxy-?-D-ribofuranosyl]-5-[2-(2-ethoxy-6-fluorophenyl)ethynyl]-
Systematic Name English
7-[5-[(Aminosulfonyl)amino]-5-deoxy-?-D-ribofuranosyl]-5-[2-(2-ethoxy-6-fluorophenyl)ethynyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Systematic Name English
Code System Code Type Description
PUBCHEM
124121703
Created by admin on Tue Apr 01 20:46:48 GMT 2025 , Edited by admin on Tue Apr 01 20:46:48 GMT 2025
PRIMARY
FDA UNII
YP58GC6E9L
Created by admin on Tue Apr 01 20:46:48 GMT 2025 , Edited by admin on Tue Apr 01 20:46:48 GMT 2025
PRIMARY
CAS
1848959-10-3
Created by admin on Tue Apr 01 20:46:48 GMT 2025 , Edited by admin on Tue Apr 01 20:46:48 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY