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Details

Stereochemistry RACEMIC
Molecular Formula C24H27N3O7S
Molecular Weight 501.552
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PG-530742

SMILES

COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CC#CCN3CCOCC3)C(O)=O

InChI

InChIKey=JAYVKNDQKXUNOJ-UHFFFAOYSA-N
InChI=1S/C24H27N3O7S/c1-33-20-9-5-18(6-10-20)23(28)25-19-7-11-21(12-8-19)35(31,32)26-22(24(29)30)4-2-3-13-27-14-16-34-17-15-27/h5-12,22,26H,4,13-17H2,1H3,(H,25,28)(H,29,30)

HIDE SMILES / InChI

Molecular Formula C24H27N3O7S
Molecular Weight 501.552
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Description

PG-116800 is a member of the hydroxyproline-based hydroxamic acid class of matrix metalloproteinase (MMP) inhibitors. PG-116800 did not modify matrix structure in osteoarthritic patients. Also, it had unexpected side effects on muscle and skeleton; it limited joint mobility, and caused arthralgia, hand oedema, palmar fibrosis, Dupuytren’s contracture and persistent tendon thickness or nodules. PG-116800 failed to reduce left ventricular remodeling or improve clinical outcomes after myocardial infarction.

Originator

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
25 mg, 50 mg, 100 mg, or 200 mg taken twice daily for 12 months
Route of Administration: Oral
Substance Class Chemical
Record UNII
F94T42GL80
Record Status Validated (UNII)
Record Version