Batimastat

Base Information

• Chemical Name: Batimastat
• CAS No.: 130370-60-4
• Molecular Formula: C23H31N3O4S2
• Molecular Weight: 477.64
• Hs Code.: 29349990
• European Community (EC) Number: 694-664-4
• UNII: BK349F52C9
• DSSTox Substance ID: DTXSID20156497
• Nikkaji Number: J535.345I
• Wikipedia: Batimastat
• Wikidata: Q15303190
• NCI Thesaurus Code: C1529
• Pharos Ligand ID: GY1TXVYFKYK4
• Metabolomics Workbench ID: 148363
• ChEMBL ID: CHEMBL279786
• Mol file: 130370-60-4.mol

Synonyms:(4-(N-hydroxyamino)-2-isobutyl-3-(thiophen-2-ylthiomethyl)succinyl)phenylalanine-N-methylamide;batimastat;BB 94;BB-94;BB94 cpd

Chemical Property of Batimastat

Chemical Property:

• Melting Point: 236-238°
• Refractive Index: 1.604
• PSA: 161.07000
• Density: 1.25 g/cm³
• LogP: 4.27030
• Storage Temp.: Store at -20°C
• Solubility.: DMSO: ≥15mg/mL
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 12
• Exact Mass: 477.17559883
• Heavy Atom Count: 32
• Complexity: 614

Purity/Quality:

98%,99%, ^*data from raw suppliers

Batimastat ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC
• Isomeric SMILES: CC(C)C[C@H]([C@H](CSC1=CC=CS1)C(=O)NO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC
• Description: Batimastat (130370-60-4) is a potent, broad spectrum MMP inhibitor (IC50 =3, 4, 4, 6 and 20 nM for MMPs -1, -2, -9, -7 and -3 respectively). Exhibits antiproliferative, anti-invasive and antimetastatic activity in human colon1, ovarian2 and prostate3 xenografts in vivo. Attenuates neuroinflammation following focal cerebral ischemia in mice.4 Inhibits α-secretase.5 Inhibits snake venom (Bothrops asper) lethality.6
• Uses: Antineoplastic. Batimastat has been used to inhibit matrix metalloproteinases (MMPs) activity in various studies.
• Therapeutic Function: Antineoplastic