U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H15N5.C2H6O3S
Molecular Weight 351.424
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPETIRIMOD ESYLATE ANHYDROUS

SMILES

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

InChI

InChIKey=CLPJOVGTNBZYQJ-UHFFFAOYSA-N
InChI=1S/C13H15N5.C2H6O3S/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)

HIDE SMILES / InChI

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

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

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.

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 00:30:43 GMT 2023
Edited
by admin
on Sat Dec 16 00:30:43 GMT 2023
Record UNII
P05864B14S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPETIRIMOD ESYLATE ANHYDROUS
Common Name English
1-(2-METHYLPROPYL)-1H-IMIDAZO(4,5-C)(1,5)NAPHTHYRIDIN-4-AMINE MONOETHANESULFONATE
Systematic Name English
EPETIRIMOD ESILATE
Common Name English
ETHANESULFONIC ACID, COMPD. WITH 1-(2-METHYLPROPYL)-1H-IMIDAZO(4,5-C)(1,5)NAPHTHYRIDIN-4-AMINE (1:1)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID501008220
Created by admin on Sat Dec 16 00:30:43 GMT 2023 , Edited by admin on Sat Dec 16 00:30:43 GMT 2023
PRIMARY
FDA UNII
P05864B14S
Created by admin on Sat Dec 16 00:30:43 GMT 2023 , Edited by admin on Sat Dec 16 00:30:43 GMT 2023
PRIMARY
PUBCHEM
11653228
Created by admin on Sat Dec 16 00:30:43 GMT 2023 , Edited by admin on Sat Dec 16 00:30:43 GMT 2023
PRIMARY
SMS_ID
300000044462
Created by admin on Sat Dec 16 00:30:43 GMT 2023 , Edited by admin on Sat Dec 16 00:30:43 GMT 2023
PRIMARY
CAS
885483-02-3
Created by admin on Sat Dec 16 00:30:43 GMT 2023 , Edited by admin on Sat Dec 16 00:30:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS
Related Record Type Details
ACTIVE MOIETY