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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H30N2O2
Molecular Weight 342.4751
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CS-0777

SMILES

CN1C(CC[C@@](C)(N)CO)=CC=C1C(=O)CCCC2=CC=C(C)C=C2

InChI

InChIKey=YXEQXPNSBUIRDZ-OAQYLSRUSA-N
InChI=1S/C21H30N2O2/c1-16-7-9-17(10-8-16)5-4-6-20(25)19-12-11-18(23(19)3)13-14-21(2,22)15-24/h7-12,24H,4-6,13-15,22H2,1-3H3/t21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H30N2O2
Molecular Weight 342.4751
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

CS-0777 is a selective and orally active agonist of S1P receptor-1, discovered by Daiichi Sankyo Co., Ltd. Oral administration of CS-0777 to rats led to a significant decrease in lymphocyte count. The drug was investigated in phase 1 clinical trial in multiple sclerosis patients. In 2014, the development of the drug was discontinued.

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:55:53 GMT 2023
Edited
by admin
on Fri Dec 15 15:55:53 GMT 2023
Record UNII
KCH74QG79A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CS-0777
Common Name English
1-BUTANONE, 1-(5-((3R)-3-AMINO-4-HYDROXY-3-METHYLBUTYL)-1-METHYL-1H-PYRROL-2-YL)-4-(4-METHYLPHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11371290
Created by admin on Fri Dec 15 15:55:53 GMT 2023 , Edited by admin on Fri Dec 15 15:55:53 GMT 2023
PRIMARY
CAS
827344-05-8
Created by admin on Fri Dec 15 15:55:53 GMT 2023 , Edited by admin on Fri Dec 15 15:55:53 GMT 2023
PRIMARY
FDA UNII
KCH74QG79A
Created by admin on Fri Dec 15 15:55:53 GMT 2023 , Edited by admin on Fri Dec 15 15:55:53 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG