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Details

Stereochemistry ACHIRAL
Molecular Formula C26H29Cl2N5O3
Molecular Weight 530.446
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Bosutinib 3,5-dichloro-4-methoxy isomer

SMILES

COC1=CC2=C(C=C1OCCCN3CCN(C)CC3)N=CC(C#N)=C2NC4=CC(Cl)=C(OC)C(Cl)=C4

InChI

InChIKey=YCLIWTLPTXAGPQ-UHFFFAOYSA-N
InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-24-14-22-19(13-23(24)34-2)25(17(15-29)16-30-22)31-18-11-20(27)26(35-3)21(28)12-18/h11-14,16H,4-10H2,1-3H3,(H,30,31)

HIDE SMILES / InChI

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
43.7 nM [Kd]
4.7 nM [Kd]
444.0 nM [Kd]
Name Type Language
Bosutinib 3,5-dichloro-4-methoxy isomer
Common Name English
4-[(3,5-Dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-3-quinolinecarbonitrile
Systematic Name English
3-Quinolinecarbonitrile, 4-[(3,5-dichloro-4-methoxyphenyl)amino]-6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-
Systematic Name English
Code System Code Type Description
PUBCHEM
60202320
Created by admin on Sat Dec 16 19:28:27 GMT 2023 , Edited by admin on Sat Dec 16 19:28:27 GMT 2023
PRIMARY
FDA UNII
SJH9PU93QM
Created by admin on Sat Dec 16 19:28:27 GMT 2023 , Edited by admin on Sat Dec 16 19:28:27 GMT 2023
PRIMARY
CAS
1391063-17-4
Created by admin on Sat Dec 16 19:28:27 GMT 2023 , Edited by admin on Sat Dec 16 19:28:27 GMT 2023
PRIMARY