Prinomastat
(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide
Molecular Identity
Prinomastat
(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide
PubChem CID: 466151
Prinomastat is a hydroxamic acid that is (3S)-N-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide in which the hydrogen attached to the thiomorpholine nitrogen has been replaced by a [4-(pyridin-4-yloxy)phenyl]sulfonyl group. It is a selective inhibitor with of matrix metalloproteinases (MMPs) 2, 3, 9, 13, and 14. It has a role as an antineoplastic agent, a matrix metalloproteinase inhibitor and an EC 3.4.24.35 (gelatinase B) inhibitor. It is a hydroxamic acid, a member of pyridines, a sulfonamide, an aromatic ether and a member of thiomorpholines. It is a conjugate base of a prinomastat(1+).
2D Structure
Properties
C18H21N3O5S2
Molecular Formula
423.50
Molecular Weight
g/mol
423.0923
Exact Mass
Da
1.5
XLogP
Drug-like (Lipinski: < 5)
143
TPSA
May have limited oral absorption
2
H-Bond Donors
8
H-Bond Acceptors
638
Complexity
SMILES
Canonical SMILES
SMILES: CC1(C(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)CIsomeric SMILES
SMILES: CC1([C@@H](N(CCS1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=NC=C3)C(=O)NO)CSynonyms(20)
Prinomastat192329-42-3AG-3340AG3340AG 3340prinomastatum(3S)-N-hydroxy-2,2-dimethyl-4-(4-pyridin-4-yloxyphenyl)sulfonylthiomorpholine-3-carboxamide10T6626FRKKB-R-9896DTXSID3043946CHEBI:138885(S)-2,2-Dimethyl-4-((p-(4-pyridyloxy)phenyl)sulfonyl)-3-thiomorpholinecarbohydroxamic acid(S)-2,2-dimethyl-4-{[p-(4-pyridyloxy)phenyl]sulfonyl}-3-thiomorpholinecarbohydroxamic acidRefChem:868518DTXCID1023946
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Prinomastat
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