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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20F3N5O5S2
Molecular Weight 519.518
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-243

SMILES

NS(=O)(=O)OC[C@H]1C[C@@H](NC2=CC=NC3=CC(=NN23)C4=CC(SC(F)(F)F)=CC=C4)[C@H](O)[C@@H]1O

InChI

InChIKey=KJDAGXLMHXUAGV-DGWLBADLSA-N
InChI=1S/C19H20F3N5O5S2/c20-19(21,22)33-12-3-1-2-10(6-12)13-8-16-24-5-4-15(27(16)26-13)25-14-7-11(17(28)18(14)29)9-32-34(23,30)31/h1-6,8,11,14,17-18,25,28-29H,7,9H2,(H2,23,30,31)/t11-,14-,17-,18+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
TAK-243
Common Name English
MLN-7243
Code English
UAE INHIBITOR MLN7243
Common Name English
SULFAMIC ACID, ((1R,2R,3S,4R)-2,3-DIHYDROXY-4-((2-(3-((TRIFLUOROMETHYL)THIO)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-7-YL)AMINO)CYCLOPENTYL)METHYL ESTER
Systematic Name English
MLN7243
Code English
((1R,2R,3S,4R)-2,3-DIHYDROXY-4-((2-(3-(TRIFLUOROMETHYLSULFANYL)PHENYL)PYRAZOLO(1,5-A)PYRIMIDIN-7-YL)AMINO)CYCLOPENTYL)METHYL SULFAMATE
Systematic Name English
TAK 243 [WHO-DD]
Common Name English
Code System Code Type Description
CAS
1450833-55-2
Created by admin on Sat Dec 16 11:54:01 UTC 2023 , Edited by admin on Sat Dec 16 11:54:01 UTC 2023
PRIMARY
NCI_THESAURUS
C113788
Created by admin on Sat Dec 16 11:54:01 UTC 2023 , Edited by admin on Sat Dec 16 11:54:01 UTC 2023
PRIMARY
FDA UNII
V9GGV0YCDI
Created by admin on Sat Dec 16 11:54:01 UTC 2023 , Edited by admin on Sat Dec 16 11:54:01 UTC 2023
PRIMARY
PUBCHEM
71715374
Created by admin on Sat Dec 16 11:54:01 UTC 2023 , Edited by admin on Sat Dec 16 11:54:01 UTC 2023
PRIMARY
DRUG BANK
DB15013
Created by admin on Sat Dec 16 11:54:01 UTC 2023 , Edited by admin on Sat Dec 16 11:54:01 UTC 2023
PRIMARY