Resminostat
(E)-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
Molecular Identity
Resminostat
(E)-3-[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamide
PubChem CID: 11609955
Resminostat is an enamide resulting from the formal condensation of the carboxy group of (2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]prop-2-enoic acid with the amino group of hydroxylamine. It is an orally bioavailable inhibitor of histone deacetylases with potential antineoplastic activity. It has a role as an antineoplastic agent, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a member of benzenes, a hydroxamic acid, a member of pyrroles, a sulfonamide, a tertiary amino compound and an enamide.
2D Structure
Properties
C16H19N3O4S
Molecular Formula
349.40
Molecular Weight
g/mol
349.1096
Exact Mass
Da
0.9
XLogP
Drug-like (Lipinski: < 5)
100
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
548
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Resminostat864814-88-04SC-201RAS2410BYK408740RAS-2410BYK-4087401578EUB98LDTXSID50235587(2E)-3-(1-((4-((Dimethylamino)methyl)phenyl)sulfonyl)-1h-pyrrol-3-yl)-N-hydroxyprop-2-enamide(2E)-3-[1-({4-[(dimethylamino)methyl]phenyl}sulfonyl)-1H-pyrrol-3-yl]-N-hydroxyprop-2-enamideresminostatum(E)-3-(1-(4-(dimethylaminomethyl)phenyl)sulfonylpyrrol-3-yl)-N-hydroxyprop-2-enamide(E)-3-[1-[4-(dimethylaminomethyl)phenyl]sulfonylpyrrol-3-yl]-N-hydroxyprop-2-enamideRefChem:178922
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Resminostat
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