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Substance Name: Batimastat [USAN:INN:BAN]
RN: 130370-60-4
UNII: BK349F52C9
InChIKey: XFILPEOLDIKJHX-QYZOEREBSA-N

Note

  • A synthetic matrix metalloproteinase inhibitor.

Molecular Formula

  • C23-H31-N3-O4-S2

Molecular Weight

  • 477.647
 

Classification Codes

  • Antineoplastic
  • Antineoplastic Agents
  • Enzyme Inhibitors
  • Protease Inhibitors
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Names and Synonyms

Name of Substance

  • Batimastat
  • Batimastat [USAN:INN:BAN]

Synonyms

  • (2S,3R)-5-Methyl-3-(((alphaS)-alpha-(methylcarbamoyl)phenethyl)carbamoyl)-2-((2-thienylthio)methyl)hexanohydroxamic acid
  • Batimastat
  • BB-94
  • Butanediamide, N(sup 4)-hydroxy-N(sup 1)-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((2-thienylthio)methyl)-, (2R-(1(S*),2R*,3S*))-
  • UNII-BK349F52C9

Systematic Names

  • Butanediamide, N(sup 4)-hydroxy-N(sup 1)-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((2-thienylthio)methyl)-, (2R-(1(S*),2R*,3S*))-
  • Butanediamide, N4-hydroxy-N1-(2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl)-2-(2-methylpropyl)-3-((2-thienylthio)methyl)-, (2R-(1(S*),2R*,3S*))-

Registry Numbers

CAS Registry Number

  • 130370-60-4

FDA UNII

  • BK349F52C9

System Generated Number

  • 0130370604

Structure Descriptors

InChI

1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1

InChIKey

XFILPEOLDIKJHX-QYZOEREBSA-N

Smiles

C([C@@H]([C@H](CSc1cccs1)C(NO)=O)CC(C)C)(N[C@@H](Cc1ccccc1)C(NC)=O)=O