AGANEPAG ISOPROPYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H37NO4S
Molecular Weight	471.652
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](CCCC3=CC=C(S3)C(=O)OC(C)C)CCC2=O

InChI

InChIKey=GKRBCKDGBDUAIQ-URXFXBBRSA-N

InChI=1S/C27H37NO4S/c1-4-5-6-10-24(29)20-11-13-22(14-12-20)28-21(15-18-26(28)30)8-7-9-23-16-17-25(33-23)27(31)32-19(2)3/h11-14,16-17,19,21,24,29H,4-10,15,18H2,1-3H3/t21-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H37NO4S
Molecular Weight	471.652
Charge	0
Count

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

Description
Sources: https://www.genome.jp/dbget-bin/www_bget?dr:D09863 | https://www.ncbi.nlm.nih.gov/pubmed/29669171https://www.genome.jp/dbget-bin/www_bget?dr:D09862https://patents.google.com/patent/WO2014078434A1 | https://www.genome.jp/dbget-bin/www_bget?dr:D09861

Aganepag is a potent Prostanoid EP2 receptor agonist, with an EC50 of 0.19 nM, and shows no activity at EP4 receptor. Aganepag can be used in the research of wound healing, scar reduction, scar prevention and wrinkle treatment and prevention. Aganepag is an antiglaucoma agent.

Originator

Approval Year

PubMed

Title	Date	PubMed
Prostaglandin analogues and nitric oxide contribution in the treatment of ocular hypertension and glaucoma.	2019 Apr	29669171

Patents

Sample Use Guides

In Vitro Use Guide

Aganepag (Compound 3) is a potent Prostanoid EP2 receptor agonist, with an EC50 of 0.19 nM

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:16:55 GMT 2023` Edited by `admin` on `Fri Dec 15 19:16:55 GMT 2023`
Record UNII	R096XE6760
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AGANEPAG ISOPROPYL

Official Name

English

AGANEPAG ISOPROPYL [USAN]

Common Name

English

2-THIOPHENECARBOXYLIC ACID, 5-(3-((2S)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXO-2- PYRROLIDINYL)PROPYL)-, 1-METHYLETHYL ESTER

Common Name

English

Aganepag isopropyl [WHO-DD]

Common Name

English

AGN-210961

Code

English

1-METHYLETHYL 5-(3-((2S)-1-(4-((1S)-1-HYDROXYHEXYL)PHENYL)-5-OXOPYRROLIDIN-2- YL)PROPYL)THIOPHENE-2-CARBOXYLATE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29705