U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H23ClF3N5O4S
Molecular Weight 618.027
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Lanisidenib

SMILES

FC1=CC(=CC=C1)N([C@H](C(=O)NC2CC(F)(F)C2)C3=CC=CC=C3Cl)C(=O)[C@@H]4CCS(=O)(=O)N4C5=NC=CC(=C5)C#N

InChI

InChIKey=LJHJHBULGHFPID-ZCYQVOJMSA-N
InChI=1S/C28H23ClF3N5O4S/c29-22-7-2-1-6-21(22)25(26(38)35-19-14-28(31,32)15-19)36(20-5-3-4-18(30)13-20)27(39)23-9-11-42(40,41)37(23)24-12-17(16-33)8-10-34-24/h1-8,10,12-13,19,23,25H,9,11,14-15H2,(H,35,38)/t23-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C28H23ClF3N5O4S
Molecular Weight 618.027
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 Wed Apr 02 20:59:35 GMT 2025
Edited
by admin
on Wed Apr 02 20:59:35 GMT 2025
Record UNII
G5J396CG5J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3S)-N-{(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl}-2-(4-cyanopyridin-2-yl)-N-(3-fluorophenyl)-1,1-dioxo-1?<sup>6</sup>,2-thiazolidine-3-carboxamide
Preferred Name English
Lanisidenib
INN  
Official Name English
3-Isothiazolidinecarboxamide, N-[(1S)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)amino]-2-oxoethyl]-2-(4-cyano-2-pyridinyl)-N-(3-fluorophenyl)-, 1,1-dioxide, (3S)-
Systematic Name English
lanisidenib [INN]
Common Name English
Code System Code Type Description
INN
13368
Created by admin on Wed Apr 02 20:59:35 GMT 2025 , Edited by admin on Wed Apr 02 20:59:35 GMT 2025
PRIMARY
CAS
2135537-20-9
Created by admin on Wed Apr 02 20:59:35 GMT 2025 , Edited by admin on Wed Apr 02 20:59:35 GMT 2025
PRIMARY
FDA UNII
G5J396CG5J
Created by admin on Wed Apr 02 20:59:35 GMT 2025 , Edited by admin on Wed Apr 02 20:59:35 GMT 2025
PRIMARY
PUBCHEM
142547299
Created by admin on Wed Apr 02 20:59:35 GMT 2025 , Edited by admin on Wed Apr 02 20:59:35 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY