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Substance Name: TAK-243
RN: 1450833-55-2
UNII: V9GGV0YCDI
InChIKey: KJDAGXLMHXUAGV-DGWLBADLSA-N

Note

  • An inhibitor of ubiquitin-activating enzyme E1.

Molecular Formula

  • C19-H20-F3-N5-O5-S2

Molecular Weight

  • 519.523
 
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Names and Synonyms

Name of Substance

  • TAK-243

Synonyms

  • ((1R,2R,3S,4R)-2,3-Dihydroxy-4-((2-(3-(trifluoromethylsulfanyl)phenyl)pyrazolo(1,5-a)pyrimidin-7-yl)amino)cyclopentyl)methyl sulfamate
  • MLN-7243
  • MLN7243
  • 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
  • TAK-243
  • Uae inhibitor MLN7243
  • UNII-V9GGV0YCDI

Registry Numbers

CAS Registry Number

  • 1450833-55-2

FDA UNII

  • V9GGV0YCDI

System Generated Number

  • 1450833552

Structure Descriptors

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

InChIKey

KJDAGXLMHXUAGV-DGWLBADLSA-N

Smiles

NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(nn23)c4cccc(SC(F)(F)F)c4)[C@H](O)[C@@H]1O