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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23F2N5O4S2
Molecular Weight 475.533
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-5122

SMILES

C[C@@H](NC1=CC(NS(=O)(=O)N2CCC2)=NC(SCC3=C(F)C(F)=CC=C3)=N1)[C@@H](O)CO

InChI

InChIKey=QVKPEMXUBULFBM-RISCZKNCSA-N
InChI=1S/C18H23F2N5O4S2/c1-11(14(27)9-26)21-15-8-16(24-31(28,29)25-6-3-7-25)23-18(22-15)30-10-12-4-2-5-13(19)17(12)20/h2,4-5,8,11,14,26-27H,3,6-7,9-10H2,1H3,(H2,21,22,23,24)/t11-,14+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H23F2N5O4S2
Molecular Weight 475.533
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:53:54 UTC 2023
Edited
by admin
on Sat Dec 16 18:53:54 UTC 2023
Record UNII
5KT86HK4WX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-5122
Code English
SRT3109
Code English
AZD 5122 [WHO-DD]
Common Name English
SRT-3109
Code English
N-(2-(((2,3-DIFLUOROPHENYL)METHYL)THIO)-6-(((1R,2R)-2,3-DIHYDROXY-1-METHYLPROPYL)AMINO)-4-PYRIMIDINYL)-1-AZETIDINESULFONAMIDE
Systematic Name English
AZD5122
Code English
1-AZETIDINESULFONAMIDE, N-(2-(((2,3-DIFLUOROPHENYL)METHYL)THIO)-6-(((1R,2R)-2,3-DIHYDROXY-1-METHYLPROPYL)AMINO)-4-PYRIMIDINYL)-
Systematic Name English
Code System Code Type Description
CAS
1204707-71-0
Created by admin on Sat Dec 16 18:53:54 UTC 2023 , Edited by admin on Sat Dec 16 18:53:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID80659631
Created by admin on Sat Dec 16 18:53:54 UTC 2023 , Edited by admin on Sat Dec 16 18:53:54 UTC 2023
PRIMARY
PUBCHEM
44602493
Created by admin on Sat Dec 16 18:53:54 UTC 2023 , Edited by admin on Sat Dec 16 18:53:54 UTC 2023
PRIMARY
FDA UNII
5KT86HK4WX
Created by admin on Sat Dec 16 18:53:54 UTC 2023 , Edited by admin on Sat Dec 16 18:53:54 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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ACTIVE MOIETY