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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H25N3O4S
Molecular Weight 427.517
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HYDROXY-2,2-DIMETHYL-N-(4-((5-(METHYLAMINO)-1-NAPHTHYL)SULFONYLAMINO)PHENYL)PROPANAMIDE

SMILES

CNC1=C2C=CC=C(C2=CC=C1)S(=O)(=O)NC3=CC=C(NC(=O)C(C)(C)CO)C=C3

InChI

InChIKey=YUJQCLQKLOZLMR-UHFFFAOYSA-N
InChI=1S/C22H25N3O4S/c1-22(2,14-26)21(27)24-15-10-12-16(13-11-15)25-30(28,29)20-9-5-6-17-18(20)7-4-8-19(17)23-3/h4-13,23,25-26H,14H2,1-3H3,(H,24,27)

HIDE SMILES / InChI

Molecular Formula C22H25N3O4S
Molecular Weight 427.517
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 11:29:49 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:49 GMT 2023
Record UNII
4FH3T4XF5H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-HYDROXY-2,2-DIMETHYL-N-(4-((5-(METHYLAMINO)-1-NAPHTHYL)SULFONYLAMINO)PHENYL)PROPANAMIDE
Systematic Name English
BAY-43-9695
Common Name English
PROPANAMIDE, 3-HYDROXY-2,2-DIMETHYL-N-(4-(((5-(METHYLAMINO)-1-NAPHTHALENYL)SULFONYL)AMINO)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
4FH3T4XF5H
Created by admin on Sat Dec 16 11:29:50 GMT 2023 , Edited by admin on Sat Dec 16 11:29:50 GMT 2023
PRIMARY
CAS
233255-39-5
Created by admin on Sat Dec 16 11:29:50 GMT 2023 , Edited by admin on Sat Dec 16 11:29:50 GMT 2023
PRIMARY
PUBCHEM
475818
Created by admin on Sat Dec 16 11:29:50 GMT 2023 , Edited by admin on Sat Dec 16 11:29:50 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
The FACS assay yield average IC50 of BAY43-9695 for the AD169 laboratory strain of 0.95 +- (mean +-0.17 standard deviation) was 0.30 +- 0.21 M.