Bosutinib 3,5-dichloro-4-methoxy isomer

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

Structure Search

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

Molecular Formula	C26H29Cl2N5O3
Molecular Weight	530.446
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Primary Target	Pharmacology	Potency
Serine/threonine-protein kinase WEE1 3 Target ID: CHEMBL5491 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28792760	Inhibitor 8297	43.7 nM [Kd]
Wee1-like protein kinase 2 1 Target ID: CHEMBL5095 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28792760	Inhibitor 8297	4.7 nM [Kd]
Myelin transcription factor 1 1 Target ID: CHEMBL2331044 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28792760	Inhibitor 8297	444.0 nM [Kd]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:28:27 GMT 2023` Edited by `admin` on `Sat Dec 16 19:28:27 GMT 2023`
Record UNII	SJH9PU93QM
Record Status	`Validated (UNII)`
Record Version

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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

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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

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