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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H35NO5S
Molecular Weight 473.625
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SIMENEPAG ISOPROPYL

SMILES

CCCCC[C@H](O)C1=CC=C(C=C1)N2[C@@H](COCC3=CC=C(S3)C(=O)OC(C)C)CCC2=O

InChI

InChIKey=MSIIJNOQQWRTFC-GGAORHGYSA-N
InChI=1S/C26H35NO5S/c1-4-5-6-7-23(28)19-8-10-20(11-9-19)27-21(12-15-25(27)29)16-31-17-22-13-14-24(33-22)26(30)32-18(2)3/h8-11,13-14,18,21,23,28H,4-7,12,15-17H2,1-3H3/t21-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula C26H35NO5S
Molecular Weight 473.625
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Simenepag isopropyl (AGN-210669) is an ophthalmic solution with potential intraocular pressure (IOP) lowering effects. Although the mechanism of action has not been disclosed, it is likely to be a sustained-release formulation of the EP agonist, AGN-210961. Simenepag isopropyl has been used in trials studying the treatment of ocular hypertension and open-angle glaucoma.

Originator

Approval Year

Sample Use Guides

In Vivo Use Guide
Drug: Simenepag isopropyl (AGN-210669) ophthalmic solution, 0.1% One drop of AGN-210669 ophthalmic solution, 0.1% in both eyes each evening from Day 1 through the evening prior to Day 29. Selected sites: One additional drop in both eyes on Day 29. Drug: AGN-210669 ophthalmic solution, 0.075% One drop of AGN-210669 ophthalmic solution, 0.075% in both eyes each evening from Day 1 through the evening prior to Day 29. Selected sites: One additional drop in both eyes on Day 29. Drug: AGN-210669 ophthalmic solution, 0.05% One drop of AGN-210669 ophthalmic solution, 0.05% in both eyes each evening from Day 1 through the evening prior to Day 29. Selected sites: One additional drop in both eyes on Day 29.
Route of Administration: Topical
In Vitro Use Guide
Simenepag (AGN-210676) is a selective prostaglandin EP2 agonist with EC50 of 5 nM. It is a less potent agonist for recombinant human prostaglandin receptors hEP3A and hDP with EC50s of 153 nM and 7749 nM, respectively.
Substance Class Chemical
Record UNII
8908HU0G4K
Record Status Validated (UNII)
Record Version