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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H25FN4O2S2
Molecular Weight 460.588
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zandatrigine

SMILES

CN([C@H]1CCN(CC2=CC=CC=C2)C1)C3=C(C)C=C(C(F)=C3)S(=O)(=O)NC4=CSC=N4

InChI

InChIKey=UCSHINHOAVARGQ-SFHVURJKSA-N
InChI=1S/C22H25FN4O2S2/c1-16-10-21(31(28,29)25-22-14-30-15-24-22)19(23)11-20(16)26(2)18-8-9-27(13-18)12-17-6-4-3-5-7-17/h3-7,10-11,14-15,18,25H,8-9,12-13H2,1-2H3/t18-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H25FN4O2S2
Molecular Weight 460.588
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:46:53 GMT 2023
Edited
by admin
on Sat Dec 16 16:46:53 GMT 2023
Record UNII
SV2WPA4R4J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Zandatrigine
INN  
Official Name English
XEN-901
Code English
XEN901
Code English
zandatrigine [INN]
Common Name English
4-{[(3S)-1-benzylpyrrolidin-3-yl](methyl)amino}-2-fluoro-5-methyl-N-(1,3-thiazol-4-yl)benzene-1-sulfonamide
Systematic Name English
Benzenesulfonamide, 2-fluoro-5-methyl-4-[methyl[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]amino]-N-4-thiazolyl-
Systematic Name English
NBI-921352
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 762220
Created by admin on Sat Dec 16 16:46:53 GMT 2023 , Edited by admin on Sat Dec 16 16:46:53 GMT 2023
Code System Code Type Description
PUBCHEM
132141687
Created by admin on Sat Dec 16 16:46:53 GMT 2023 , Edited by admin on Sat Dec 16 16:46:53 GMT 2023
PRIMARY
CAS
2154406-04-7
Created by admin on Sat Dec 16 16:46:53 GMT 2023 , Edited by admin on Sat Dec 16 16:46:53 GMT 2023
PRIMARY
SMS_ID
300000026612
Created by admin on Sat Dec 16 16:46:53 GMT 2023 , Edited by admin on Sat Dec 16 16:46:53 GMT 2023
PRIMARY
NCI_THESAURUS
C190486
Created by admin on Sat Dec 16 16:46:53 GMT 2023 , Edited by admin on Sat Dec 16 16:46:53 GMT 2023
PRIMARY
FDA UNII
SV2WPA4R4J
Created by admin on Sat Dec 16 16:46:53 GMT 2023 , Edited by admin on Sat Dec 16 16:46:53 GMT 2023
PRIMARY
INN
12252
Created by admin on Sat Dec 16 16:46:53 GMT 2023 , Edited by admin on Sat Dec 16 16:46:53 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Remarkably selective for the NaV1.6 sodium channel over other isoforms (IC50 = 51 nM, 756x vs. NaV1.1, 134X vs. NaV1.2, 276X vs. NaV1.7, >583X vs. 1.3, 1.4, 1.5.
Related Record Type Details
ACTIVE MOIETY