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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H29F3N8O5S
Molecular Weight 598.598
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Risovalisib

SMILES

COC(=O)NC1=NC=C(C2=NN3C=C(CN4CCN(CC4)S(C)(=O)=O)C=C3C(=N2)N5CCOCC5)C(=C1)C(F)(F)F

InChI

InChIKey=KTLQDDGRBDLKMN-UHFFFAOYSA-N
InChI=1S/C24H29F3N8O5S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36)

HIDE SMILES / InChI

Molecular Formula C24H29F3N8O5S
Molecular Weight 598.598
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:22:49 GMT 2023
Edited
by admin
on Sat Dec 16 15:22:49 GMT 2023
Record UNII
RCA38L4HB5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Risovalisib
INN  
Official Name English
methyl {5-[6-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-4- (morpholin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4- (trifluoromethyl)pyridine-2-yl}carbamate
Systematic Name English
methyl {5-[6-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-4- (morpholin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4- (trifluoromethyl)pyridine-2-yl}carbamate
Systematic Name English
CYH 33 [WHO-DD]
Common Name English
risovalisib [INN]
Common Name English
CYH33
Code English
CARBAMIC ACID, N-(5-(6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)-, METHYL ESTER
Systematic Name English
METHYL N-(5-(6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)CARBAMATE
Systematic Name English
CYH-33
Code English
Code System Code Type Description
INN
12448
Created by admin on Sat Dec 16 15:22:49 GMT 2023 , Edited by admin on Sat Dec 16 15:22:49 GMT 2023
PRIMARY
NCI_THESAURUS
C178401
Created by admin on Sat Dec 16 15:22:49 GMT 2023 , Edited by admin on Sat Dec 16 15:22:49 GMT 2023
PRIMARY
CAS
1494684-28-4
Created by admin on Sat Dec 16 15:22:49 GMT 2023 , Edited by admin on Sat Dec 16 15:22:49 GMT 2023
PRIMARY
FDA UNII
RCA38L4HB5
Created by admin on Sat Dec 16 15:22:49 GMT 2023 , Edited by admin on Sat Dec 16 15:22:49 GMT 2023
PRIMARY
PUBCHEM
72550012
Created by admin on Sat Dec 16 15:22:49 GMT 2023 , Edited by admin on Sat Dec 16 15:22:49 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
OFF TARGET->NON-INHIBITOR
Related Record Type Details
ACTIVE MOIETY