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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H27FN4O5S
Molecular Weight 526.58
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Roginolisib

SMILES

FC1=CC=CC2=C1S(=O)(=O)CC3=C2N(N=C3C(=O)N4CCOCC4)C5=CC=C(CN6CCOCC6)C=C5

InChI

InChIKey=NFHSJYKXENYICE-UHFFFAOYSA-N
InChI=1S/C26H27FN4O5S/c27-22-3-1-2-20-24-21(17-37(33,34)25(20)22)23(26(32)30-10-14-36-15-11-30)28-31(24)19-6-4-18(5-7-19)16-29-8-12-35-13-9-29/h1-7H,8-17H2

HIDE SMILES / InChI

Molecular Formula C26H27FN4O5S
Molecular Weight 526.58
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 18:09:44 GMT 2023
Edited
by admin
on Sat Dec 16 18:09:44 GMT 2023
Record UNII
6K8FC2TF54
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Roginolisib
INN  
Official Name English
Methanone, [6-fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinyl-
Systematic Name English
roginolisib [INN]
Common Name English
IOA244
Code English
IOA-244
Code English
IOA 244 [WHO-DD]
Common Name English
MSC2360844
Code English
MSC-2360844
Code English
6-fluoro-1-{4-[(morpholin-4-yl)methyl]phenyl}-3-(morpholine-4-carbonyl)-1H,4H-5lambda6-thiochromeno[4,3-c]pyrazole-5,5-dione
Systematic Name English
[6-Fluoro-1,4-dihydro-1-[4-(4-morpholinylmethyl)phenyl]-5,5-dioxido[1]benzothiopyrano[4,3-c]pyrazol-3-yl]-4-morpholinylmethanone
Systematic Name English
Code System Code Type Description
CAS
1305267-37-1
Created by admin on Sat Dec 16 18:09:44 GMT 2023 , Edited by admin on Sat Dec 16 18:09:44 GMT 2023
PRIMARY
INN
12617
Created by admin on Sat Dec 16 18:09:44 GMT 2023 , Edited by admin on Sat Dec 16 18:09:44 GMT 2023
PRIMARY
PUBCHEM
66580799
Created by admin on Sat Dec 16 18:09:44 GMT 2023 , Edited by admin on Sat Dec 16 18:09:44 GMT 2023
PRIMARY
FDA UNII
6K8FC2TF54
Created by admin on Sat Dec 16 18:09:44 GMT 2023 , Edited by admin on Sat Dec 16 18:09:44 GMT 2023
PRIMARY
SMS_ID
300000015600
Created by admin on Sat Dec 16 18:09:44 GMT 2023 , Edited by admin on Sat Dec 16 18:09:44 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY