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CAS 130370-60-4

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Batimastat

Description:
Batimastat, with the CAS number 130370-60-4, is a synthetic compound classified as a broad-spectrum matrix metalloproteinase (MMP) inhibitor. It is primarily recognized for its potential therapeutic applications in cancer treatment and tissue remodeling disorders due to its ability to inhibit the activity of MMPs, which are enzymes involved in the degradation of extracellular matrix components. Batimastat is characterized by its small molecular size and specific structural features that allow it to bind to the active sites of MMPs, thereby preventing their function. The compound is typically administered in a pharmaceutical formulation and has been studied in various preclinical and clinical settings. Its mechanism of action involves the modulation of tumor invasion and metastasis, making it a subject of interest in oncology research. However, its clinical use has been limited due to issues related to bioavailability and side effects. Overall, Batimastat represents a significant area of study in the development of targeted therapies for cancer and other diseases involving MMP dysregulation.
Formula:C23H31N3O4S2
InChI: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
InChI key:InChIKey=XFILPEOLDIKJHX-QYZOEREBSA-N
SMILES:[C@@H]([C@H](CSC1=CC=CS1)C(NO)=O)(C(N[C@@H](CC2=CC=CC=C2)C(NC)=O)=O)CC(C)C
Synonyms:
  • (2R,3S)-N<sup>4</sup>-Hydroxy-N<sup>1</sup>-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamide
  • (2R,3S)-N~1~-[(1S)-1-benzyl-2-(methylamino)-2-oxoethyl]-N~4~-hydroxy-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide
  • (2R,3S)-N~4~-Hydroxy-2-isobutyl-N~1~-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-[(2-thienylsulfanyl)methyl]succinamide
  • (2R,3S)-N~4~-hydroxy-N~1~-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide
  • (2S,3R)-5-Methyl-3-(((aS)-a-(methylcarbamoyl)phenethyl)carbamoyl)-2-((2-thienylthio)methyl)hexanohydroxamic Acid
  • 130370-60-4
  • Bb 94
  • Butanediamide, N<sup>4</sup>-hydroxy-N<sup>1</sup>-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]-, (2R,3S)-
  • Butanediamide, N<sup>4</sup>-hydroxy-N<sup>1</sup>-[2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]-, [2R-[1(S*),2R*,3S*]]-
  • [2R-[1(S*),2R*,3S*]]-N4-Hydroxy-N1-[2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butane Diamide
  • See more synonyms
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