PG-116800
Basic information
- CAS
291533-11-4- Standard SMILES
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(CC#CCN3CCOCC3)C(=O)O)cc2)cc1- InChIKey
JAYVKNDQKXUNOJ-UHFFFAOYSA-N- Molecular formula
- C24H27N3O7S
- Average molar mass
- 501.6 g/mol
- Monoisotopic mass
- 501.15697138
Overview
PG-530742 selectively inhibits certain matrix metalloproteinases that have been implicated in the cartilage degradation that occurs in osteoarthritis. By inhibiting these MMPs, it potentially limits cartilage degradation and disease progression. Studies are currently assessing the efficacy and safety of PG-530742 in the treatment of mild to moderate knee osteoarthritis.
Names & identifiers
- Preferred name
- PG-116800
- IUPAC
- 2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acid
- English name
- PG 116800
- Molecular formula
- C24H27N3O7S
- Molecular weight
- 501.55208
Names & synonyms
291533-11-4PG-116800F94T42GL80PG-5307424-Hexynoic acid, 2-(((4-((4-methoxybenzoyl)amino)phenyl)sulfonyl)amino)-6-(4-morpholinyl)-PGE7113313PGE-71133134-Hexynoic acid, 2-[[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonyl]amino]-6-(4-morpholinyl)-RefChem:172346PG 116800PG-530742 free acidUNII-F94T42GL80
Show more names
PG 116800,PG116800JAYVKNDQKXUNOJ-UHFFFAOYSA-N
PGE 530742PGE 7113313PG 5307422-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-6-morpholin-4-ylhex-4-ynoic acidPG 530742; PGE 530742; PGE 7113313PG-116800 Sodium SaltPG-530742 SODIUMorb1699640
Database identifiers
- CAS
291533-11-4- PubChem CID
- 9848869
- ChEMBL
CHEMBL4297318- UNII
- F94T42GL80
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 870
Physicochemical properties
- form
- Solid
- color
- White to off-white
- FDA UNII
- 94 T42GL80 · F94T42GL80
Chemistry & industry
Pharmacology
Pharmacodynamics
PG-530742 selectively inhibits certain matrix metalloproteinases that have been implicated in the cartilage degradation that occurs in osteoarthritis. By inhibiting these MMPs, it potentially limits cartilage degradation and disease progression. Studies are currently assessing the efficacy and safety of PG-530742 in the treatment of mild to moderate knee osteoarthritis.
Mechanism of ActionPG-530742 selectively inhibits certain matrix metalloproteinases: In an independent research study, the drug-treated group showed decreased levels of MMP-2, -3, -9, and -13.
Applications
UsesPG 116800 (PG 530742) is an orally avtive MMP inhibitor. PG 116800 has high affinity for MMP-2, -3, -8, -9, -13, and -14, while having substantially lower affinity for MMP-1 and -7. PG 116800 can be used for knee osteoarthritis research[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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