4-(Chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H20ClN5O
Molecular Weight	429.902
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-(Chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Structure Search

SMILES

CC1=C(NC2=NC(=CC=N2)C3=CN=CC=C3)C=C(NC(=O)C4=CC=C(CCl)C=C4)C=C1

InChI

InChIKey=WUGWDFMSJPJUEZ-UHFFFAOYSA-N

InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)

HIDE SMILES / InChI

Molecular Formula	C24H20ClN5O
Molecular Weight	429.902
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	Condition	Potency
Stem cell growth factor receptor 57 Target ID: CHEMBL1936 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21322567	Inhibitor 8504		245.0 nM [IC50]
Platelet-derived growth factor receptor alpha 33 Target ID: CHEMBL2007 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21322567	Inhibitor 8504		139.0 nM [IC50]

PubMed

Title	Date	PubMed
Cysteine mapping in conformationally distinct kinase nucleotide binding sites: application to the design of selective covalent inhibitors.	2011-03-10	21322567

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:45:52 GMT 2025` Edited by `admin` on `Wed Apr 02 17:45:52 GMT 2025`
Record UNII	493YC8TX2Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Methyl-5-[[4-(chloromethyl)benzoyl]amino]-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine

Preferred Name

English

4-(Chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]benzamide

Systematic Name

English

N-[5-[[4-(Chloromethyl)benzoyl]amino]-2-methylphenyl]-4-(3-pyridyl)-2-pyrimidineamine

Systematic Name

English

Benzamide, 4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-

Systematic Name

English

4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30436494

Created by admin on Wed Apr 02 17:45:52 GMT 2025 , Edited by admin on Wed Apr 02 17:45:52 GMT 2025

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FDA UNII

493YC8TX2Q

Created by admin on Wed Apr 02 17:45:52 GMT 2025 , Edited by admin on Wed Apr 02 17:45:52 GMT 2025

PRIMARY

PUBCHEM

10181075

Created by admin on Wed Apr 02 17:45:52 GMT 2025 , Edited by admin on Wed Apr 02 17:45:52 GMT 2025

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CAS

404844-11-7

Created by admin on Wed Apr 02 17:45:52 GMT 2025 , Edited by admin on Wed Apr 02 17:45:52 GMT 2025

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Related Record Type Details


					ED9EB23CTZ

4-(Chloromethyl)-N-4-methyl-3-[(4-(3-pyridinyl)-2-pyrimidinyl)amino]phenylbenzamide hydrochloride

SALT/SOLVATE -> PARENT

Amount: