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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H29N9
Molecular Weight 443.5474
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ruserontinib

SMILES

CC(C)N1C(NC2=CN=CC=C2)=NC3=CN=C(NC4=CC=C(C=C4)N5CCN(C)CC5)N=C13

InChI

InChIKey=WSOHOUHPUOAXIN-UHFFFAOYSA-N
InChI=1S/C24H29N9/c1-17(2)33-22-21(29-24(33)28-19-5-4-10-25-15-19)16-26-23(30-22)27-18-6-8-20(9-7-18)32-13-11-31(3)12-14-32/h4-10,15-17H,11-14H2,1-3H3,(H,28,29)(H,26,27,30)

HIDE SMILES / InChI

Molecular Formula C24H29N9
Molecular Weight 443.5474
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 19:12:44 GMT 2023
Edited
by admin
on Sat Dec 16 19:12:44 GMT 2023
Record UNII
AQ3TTU8UM7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ruserontinib
INN  
Official Name English
SKLB1028
Code English
SKLB-1028
Code English
9H-Purine-2,8-diamine, 9-(1-methylethyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-N8-3-pyridinyl-
Systematic Name English
N2-[4-(4-methylpiperazin-1-yl)phenyl]-9-(propan-2-yl)-N8-(pyridin-3-yl)-9H-purine-2,8-diamine
Systematic Name English
9-(1-Methylethyl)-N2-[4-(4-methyl-1-piperazinyl)phenyl]-N8-3-pyridinyl-9H-purine-2,8-diamine
Systematic Name English
ruserontinib [INN]
Common Name English
Code System Code Type Description
CAS
1350544-93-2
Created by admin on Sat Dec 16 19:12:44 GMT 2023 , Edited by admin on Sat Dec 16 19:12:44 GMT 2023
PRIMARY
SMS_ID
300000045581
Created by admin on Sat Dec 16 19:12:44 GMT 2023 , Edited by admin on Sat Dec 16 19:12:44 GMT 2023
PRIMARY
FDA UNII
AQ3TTU8UM7
Created by admin on Sat Dec 16 19:12:44 GMT 2023 , Edited by admin on Sat Dec 16 19:12:44 GMT 2023
PRIMARY
PUBCHEM
54760385
Created by admin on Sat Dec 16 19:12:44 GMT 2023 , Edited by admin on Sat Dec 16 19:12:44 GMT 2023
PRIMARY
NCI_THESAURUS
C131492
Created by admin on Sat Dec 16 19:12:44 GMT 2023 , Edited by admin on Sat Dec 16 19:12:44 GMT 2023
PRIMARY
INN
12343
Created by admin on Sat Dec 16 19:12:44 GMT 2023 , Edited by admin on Sat Dec 16 19:12:44 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY