CGP-74588

Details

Stereochemistry	ACHIRAL
Molecular Formula	C28H29N7O
Molecular Weight	479.5762
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(NC(=O)C2=CC=C(CN3CCNCC3)C=C2)C=C1NC4=NC=CC(=N4)C5=CC=CN=C5

InChI

InChIKey=BQQYXPHRXIZMDM-UHFFFAOYSA-N

InChI=1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)

HIDE SMILES / InChI

Molecular Formula	C28H29N7O
Molecular Weight	479.5762
Charge	0
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15255805
Curator's Comment: Description was created based on several sources, including: https://www.ncbi.nlm.nih.gov/pubmed/22865010

CGP-74588 (Norimatinib, N-Desmethyl Imatinib) is a metabolite of Imatinib, a tyrosine kinase inhibitor, displaying specificity for BCR-ABL. CGP-74588 is pharmacologically active, and shows a similar potency and selectivity profile as the parent drug

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bcr/Abl fusion protein 21 Target ID: CHEMBL2096618 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23611771	Inhibitor 8504		2229.0 nM [IC50]
Leucine-rich repeat serine/threonine-protein kinase 2 4 Target ID: CHEMBL1075104 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25998502	Inhibitor 8504		4600.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2596

PubMed

Title	Date	PubMed
The CNS is a sanctuary for leukemic cells in mice receiving imatinib mesylate for Bcr/Abl-induced leukemia.	2003-06-15	12595307

Patents

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

The effects of CGP74588 on BCR-ABL1 autophosphorylation and on BCR-ABL1-dependent cell viability were determined in murine haematopoietic Ba/F3 cells transfected to express human BCR-ABL1, using a capture enzyme-linked immunosorbant (ELISA) and a luminescence ATP-detection assay. CGP74588 shows potent inhibition of BCR-ABL in nanomolar range.

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:16:27 GMT 2025` Edited by `admin` on `Mon Mar 31 22:16:27 GMT 2025`
Record UNII	6GOH0N63QD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CGP-74588

Common Name

English

CGP 74588

Preferred Name

English

N-DESMETHYL IMATINIB

Common Name

English

STI-509-00

Code

English

N DESMETHYL IMATINIB

Common Name

English

BENZAMIDE, N-(4-METHYL-3-((4-(3-PYRIDINYL)-2-PYRIMIDINYL)AMINO)PHENYL)-4-(1-PIPERAZINYLMETHYL)-

Systematic Name

English

NORIMATINIB

Common Name

English

STI-50900

Code

English

N-DESMETHYLIMATINIB

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80193500