SIMENEPAG ISOPROPYL

Investigational

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 Search

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

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://drugprofiles.informa.com/drug_profiles/18917-agn-210669 | https://www.drugbank.ca/drugs/DB12977https://adisinsight.springer.com/drugs/800030473 | http://www.freepatentsonline.com/y2007/0203222.html

Simenepag (AGN-210676) is a a small molecule selective prostaglandin EP2 agonist with EC50 of 5 nM. Allergan was developing simenepag for the treatment of glaucoma and ocular hypertension.

Originator

Approval Year

Patents

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 Created by `admin` on `Mon Mar 31 19:56:51 GMT 2025` Edited by `admin` on `Mon Mar 31 19:56:51 GMT 2025`
Record UNII	8908HU0G4K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AGN-210669

Preferred Name

English

SIMENEPAG ISOPROPYL

Official Name

English

1-Methylethyl 5-({[(2R)-1-{4-[(1S)-1-hydroxyhexyl]phenyl}-5-oxopyrrolidin-2-yl]methoxy}methyl)thiophene-2-carboxylate

Systematic Name

English

SIMENEPAG ISOPROPYL [USAN]

Common Name

English

Simenepag isopropyl [WHO-DD]

Common Name

English

2-THIOPHENECARBOXYLIC ACID,5-((((2R)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXO-2-PYRROLIDINYL)METHOXY)METHYL)-,1-METHYLETHYL ESTER

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29705