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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H21FN6O3
Molecular Weight 448.4496
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Stereo Comments TROPOISOMERISM AXIAL, S, PYRIDINE

SHOW SMILES / InChI
Structure of Lartesertib

SMILES

COC1=CN=CC(F)=C1N2C(=O)N(C)C3=C2C4=CC(C5=CN(C)N=C5C)=C(OC)C=C4N=C3

InChI

InChIKey=WNEFOSMCGCLLJU-UHFFFAOYSA-N
InChI=1S/C23H21FN6O3/c1-12-15(11-28(2)27-12)13-6-14-17(7-19(13)32-4)26-9-18-21(14)30(23(31)29(18)3)22-16(24)8-25-10-20(22)33-5/h6-11H,1-5H3

HIDE SMILES / InChI

Molecular Formula C23H21FN6O3
Molecular Weight 448.4496
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 18:23:15 GMT 2023
Edited
by admin
on Sat Dec 16 18:23:15 GMT 2023
Record UNII
KL7B6D38VC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Lartesertib
INN  
Official Name English
8-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(3-fluoro-5- methoxypyridin-4-yl)-7-methoxy-3-methyl-1,3-dihydro- 2H-imidazo[4,5-c]quinolin-2-one
Systematic Name English
2H-Imidazo[4,5-c]quinolin-2-one, 8-(1,3-dimethyl-1H-pyrazol-4-yl)-1-(3-fluoro-5-methoxy-4-pyridinyl)-1,3-dihydro-7-methoxy-3-methyl-, (1S)-
Systematic Name English
M-4076
Code English
8-(1,3-Dimethyl-1H-pyrazol-4-yl)-1-(Sa)-(3-fluoro-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
Systematic Name English
M 4076 [WHO-DD]
Common Name English
M4076
Code English
lartesertib [INN]
Common Name English
8-(1,3-DIMETHYL-1H-PYRAZOL-4-YL)-1-(3-FLUORO-5-METHOXY-4-PYRIDINYL)-1,3-DIHYDRO-7-METHOXY-3-METHYL-2H-IMIDAZO(4,5-C)QUINOLIN-2-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
KL7B6D38VC
Created by admin on Sat Dec 16 18:23:15 GMT 2023 , Edited by admin on Sat Dec 16 18:23:15 GMT 2023
PRIMARY
CAS
2020089-41-0
Created by admin on Sat Dec 16 18:23:15 GMT 2023 , Edited by admin on Sat Dec 16 18:23:15 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
NCI_THESAURUS
C180326
Created by admin on Sat Dec 16 18:23:15 GMT 2023 , Edited by admin on Sat Dec 16 18:23:15 GMT 2023
PRIMARY
PUBCHEM
122599280
Created by admin on Sat Dec 16 18:23:15 GMT 2023 , Edited by admin on Sat Dec 16 18:23:15 GMT 2023
PRIMARY
SMS_ID
300000041112
Created by admin on Sat Dec 16 18:23:15 GMT 2023 , Edited by admin on Sat Dec 16 18:23:15 GMT 2023
PRIMARY
CAS
2495096-26-7
Created by admin on Sat Dec 16 18:23:15 GMT 2023 , Edited by admin on Sat Dec 16 18:23:15 GMT 2023
PRIMARY
INN
12544
Created by admin on Sat Dec 16 18:23:15 GMT 2023 , Edited by admin on Sat Dec 16 18:23:15 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IN-VITRO, IN-VIVO
Related Record Type Details
ACTIVE MOIETY