Chemical Property of N-Desmethyl Imatinib
Chemical Property:
- Appearance/Colour:Off-white to pale-yellow solid
- Melting Point:99-101 °C
- Refractive Index:1.676
- PKA:13.28±0.70(Predicted)
- PSA：95.07000
- Density:1.269 g/cm3
- LogP:4.66080
- Storage Temp.:-20°C Freezer
- XLogP3:3
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:7
- Rotatable Bond Count:7
- Exact Mass:479.24335857
- Heavy Atom Count:36
- Complexity:679
- Purity/Quality:
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99%min *data from raw suppliers
N-DesmethylImatinib *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- Safety Statements:
24/25
- MSDS Files:
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Useful:
- Canonical SMILES:CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5
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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.
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Uses
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) aminoglycoside antibiotic similar to gentamycin, toxic to bacterial, yeast, higher plant and mammalian cells and to protozoans and helminthes anti-epileptic
