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N-Desmethyl Imatinib

Product NameN-Desmethyl Imatinib
CAS404844-02-6
MFC28H29N7O
MW479.58
EINECS1592732-453-0
MOL File404844-02-6.mol

Chemical Properties

Melting point	99-101°C
Density	1.268±0.06 g/cm3(Predicted)
storage temp.	-20°C Freezer
solubility	DMF: 16 mg/ml; DMF:PBS (pH 7.2) (1:4): 0.20 mg/ml; DMSO: 14 mg/ml; Ethanol: 0.20 mg/ml
form	A lyophilized solid
pka	13.28±0.70(Predicted)
color	Light yellow to yellow
biological source	synthetic
InChIKey	BQQYXPHRXIZMDM-UHFFFAOYSA-N
SMILES	C(NC1=CC=C(C)C(NC2=NC=CC(C3=CC=CN=C3)=N2)=C1)(=O)C1=CC=C(CN2CCNCC2)C=C1

Safety Information

Safety Statements	24/25
WGK Germany	WGK 3
HS Code	29339900
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Carc. 2 Lact. Muta. 2 Repr. 1B

Usage And Synthesis

Description

N-desmethyl Imatinib is a major active metabolite of imatinib , an anticancer agent that selectively targets tyrosine kinases, including Bcr-ABL, platelet-derived growth factor receptor (PDGFR), and KIT. N-desmethyl Imatinib is formed when imatinib undergoes demethylation by the cytochrome P450 (CYP) isomer CYP3A4. N-desmethyl Imatinib has the same in vitro potency at Bcr-ABL kinase as imatinib (IC₅₀ = 38 nM for both) but is only present in plasma at 10-15% of the levels of imatinib, indicating the majority of the anticancer activity can be attributed to the parent compound.

Chemical Properties

Off-White to Pale-Yellow Solid

Uses

anti-epileptic

Uses

aminoglycoside antibiotic similar to gentamycin, toxic to bacterial, yeast, higher plant and mammalian cells and to protozoans and helminthes

Uses

N-Desmethyl Imatinib (Imatinib EP Impurity C) is a metabolite of Gleevec, a tyrosine kinase inhibitor which is highly specific for BCR-ABL, the enzyme associated with chronic myelogenous leukemia (CML) and certain forms of acute lymphoblastic leukemia (ALL). It is a COVID19-related research product.

Definition

ChEBI: N-Demethylated piperazine is a member of benzamides.

References

[1] DRUKER B J. Translation of the Philadelphia chromosome into therapy for CML.[J]. Blood, 2008: 4808-4817. DOI: 10.1182/blood-2008-07-077958
[2] MüLLER B A. Imatinib and its successors–how modern chemistry has changed drug development.[J]. Current pharmaceutical design, 2009, 15 2: 120-133. DOI: 10.2174/138161209787002933
[3] OBACH R S. Pharmacologically active drug metabolites: impact on drug discovery and pharmacotherapy.[J]. Pharmacological Reviews, 2013, 65 2: 578-640. DOI: 10.1124/pr.111.005439

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