Marimastat
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
Molecular Identity
Marimastat
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N',3-dihydroxy-2-(2-methylpropyl)butanediamide
PubChem CID: 119031
Marimastat is a secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide. It has a role as an antineoplastic agent and a matrix metalloproteinase inhibitor. It is a secondary carboxamide and a hydroxamic acid.
2D Structure
Properties
C15H29N3O5
Molecular Formula
331.41
Molecular Weight
g/mol
331.2107
Exact Mass
Da
0.5
XLogP
Drug-like (Lipinski: < 5)
128
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
5
H-Bond Acceptors
431
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Marimastat154039-60-8BB-2516BB 2516BB2516D5EQV23TDSNSC-719333GI5712KB-R 8898TA2516GI-5712TA-2516(2S,3R)-3-(((1S)-2,2-Dimethyl-1-(methylcarbamoxy)propyl)carboyl)-2-hydroxy-5-methylhexanohydroxamic acidCHEBI:50662DTXSID20165524
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Marimastat
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