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CHEBI:195398 - batimastat

Default Structure
ChEBI IDCHEBI:195398
ChEBI Namebatimastat
Stars
DefinitionA 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.
Secondary ChEBI IDCHEBI:40976
Last Modified20 July 2023
Submitterjonmuyskens
DownloadsMolfile
FormulaC23H31N3O4S2
Net Charge0
Average Mass477.652
Monoisotopic Mass477.17560
SMILESCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO
InChIInChI=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
InChIKeyXFILPEOLDIKJHX-QYZOEREBSA-N
Wikipedia
Roles Classification
Biological Role:
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
batimastat (CHEBI:195398) has role angiogenesis inhibitor (CHEBI:48422)
batimastat (CHEBI:195398) has role antineoplastic agent (CHEBI:35610)
batimastat (CHEBI:195398) has role matrix metalloproteinase inhibitor (CHEBI:50664)
batimastat (CHEBI:195398) is a L-phenylalanine derivative (CHEBI:84144)
batimastat (CHEBI:195398) is a hydroxamic acid (CHEBI:24650)
batimastat (CHEBI:195398) is a organic sulfide (CHEBI:16385)
batimastat (CHEBI:195398) is a secondary carboxamide (CHEBI:140325)
batimastat (CHEBI:195398) is a thiophenes (CHEBI:26961)
batimastat (CHEBI:195398) is a triamide (CHEBI:51954)
IUPAC Name 
(2R,3S)-N4-hydroxy-N1-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-(2-methylpropyl)-3-[(thiophen-2-ylsulfanyl)methyl]butanediamide
INNs  Source
batimastatWHO MedNet
batimastatWHO MedNet
batimastatWHO MedNet
batimastatumWHO MedNet
Synonyms  Source
(2R,3S)-N4-hydroxy-N1-[(1S)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]butanediamideChEBI
4-(N-hydroxyamino)-2R-isobutyl-3S-(thiopen-2-ylthiomethyl)-succinyl-L-phenylalanine-N-methylamideChEBI
BB 94ChEBI
BB-94SUBMITTER
BB94DrugBank
Manual XrefsDatabases
4515033ChemSpider
BATPDBeChem
BatimastatWikipedia
CPD-21519MetaCyc
D03061KEGG DRUG
DB03880DrugBank
LSM-6276LINCS
Registry NumbersSources
CAS:130370-60-4DrugBank
Citations