EPETIRIMOD ESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H15N5.C2H6O3S.H2O
Molecular Weight	369.439
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.CCS(O)(=O)=O.CC(C)CN1C=NC2=C1C3=NC=CC=C3N=C2N

InChI

InChIKey=WGQREWBBEJMLOV-UHFFFAOYSA-N

InChI=1S/C13H15N5.C2H6O3S.H2O/c1-8(2)6-18-7-16-11-12(18)10-9(17-13(11)14)4-3-5-15-10;1-2-6(3,4)5;/h3-5,7-8H,6H2,1-2H3,(H2,14,17);2H2,1H3,(H,3,4,5);1H2

HIDE SMILES / InChI

Molecular Formula	C2H6O3S
Molecular Weight	110.132
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C13H15N5
Molecular Weight	241.2917
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://adisinsight.springer.com/drugs/800022290 | https://www.ncbi.nlm.nih.gov/pubmed/20001552

Epetirimod (S-30563 or TAK-851) is an immunostimulant. The compound is structurally related to the marketed topical imidazoquinoline drug, imiquimod, an agonist of Toll-like receptor 7. Epetirimod was under development with Takeda Pharmaceutical as a topical treatment for cervical high-risk HPV infection and cervical dysplasia. Takeda has discontinued epetirimod development as it did not meet the predefined efficacy end points in a US Phase II trial.

Originator

Approval Year

PubMed

Title	Date	PubMed

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:29:12 GMT 2023` Edited by `admin` on `Fri Dec 15 15:29:12 GMT 2023`
Record UNII	H92K6N217F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPETIRIMOD ESYLATE

Official Name

English

ETHANESULFONIC ACID, COMPD. WITH 1-(2-METHYLPROPYL)-1H-IMIDAZO(4,5-C)(1,5)NAPHTHYRIDIN-4-AMINE, HYDRATE (1:1:1)

Common Name

English

1-(2-METHYLPROPYL)-1H-IMIDAZO(4,5-C)(1,5)NAPHTHYRIDIN-4-AMINE MONOETHANESULFONATE MONOHYDRATE

Systematic Name

English

EPETIRIMOD ESYLATE [USAN]

Common Name

English

851B

Code

English

1-(2-METHYLPROPYL)-1H-IMIDAZO(4,5-C)(1,5)NAPHTHYRIDIN-4-AMINE MONOETHANESULPHONATE MONOHYDRATE

Systematic Name

English

EPETIRIMOD ESYLATE MONOHYDRATE

Common Name

English

851-B

Code

English

S-30563-35-65

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C308