Products 130370-60-4

CAS 130370-60-4 appears in our catalog under these names: Batimastat, Batimastat/ 98.55% (existing batch purity), Batimastat (BB–94), Batimastat 98%, Batimastat 1PC X 5MG. Offered by: Chemat Brand, TargetMol, GLPBio, Biosynth, Ambeed. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 10mM (in 1ml dmso).

Structural formula: {0} (CAS {1})

Batimastat is a secondary carboxamide resulting from the formal condensation of the carboxy group of (2S,3R)-5-methyl-3-{[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl}-2-[(thiophen-2-ylsulfanyl)methyl]hexanoic acid with the amino group of hydroxylamine. It a broad-spectrum matrix metalloprotease inhibitor. It has a role as an antineoplastic agent, an angiogenesis inhibitor and a matrix metalloproteinase inhibitor. It is a secondary carboxamide, an organic sulfide, a hydroxamic acid, a member of thiophenes, a triamide and a L-phenylalanine derivative.

Source: ChEBI

Identity
Molecular formulaC23H31N3O4S2
Molecular weight477.6 g/mol
IUPAC name(2S,3R)-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-(2-methylpropyl)-2-(thiophen-2-ylsulfanylmethyl)butanediamide
InChIKeyXFILPEOLDIKJHX-QYZOEREBSA-N
SMILESCC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC

Computed by PubChem (NCBI)