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N-Desmethyl imatinib

CAT: 1410-M26257-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M26257-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N-Desmethyl imatinib is a metabolite of Imatinib, which is a multi-target inhibitor of c-Kit, v-Abl, and PDGFR.
CAS Number
404844-02-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
479.588
Molecular Formula
C28H29N7O
Notes
Research use only, not for human use.
Receptor
Bacterial

Chemical Information

Cgp-74588

N-Demethylated piperazine is a member of benzamides.

CAS Number404844-02-6
PubChem CID9869737
IUPAC NameN-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-4-(piperazin-1-ylmethyl)benzamide
Molecular FormulaC28H29N7O
Molecular Weight479.6
XLogP3
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count36
Formal Charge0
Complexity679
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5
InChI
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)
InChIKey
BQQYXPHRXIZMDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cgp-74588
CAS: 404844-02-6
CID: 9869737
Formula: C28H29N7O
MW: 479.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.6
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass479.24335857
Monoisotopic Mass479.24335857
Topological Polar Surface Area95.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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HY-G0017-01N-Desmethyl imatinib
HY-G0017RN-Desmethyl imatinib (Standard)
458802-01N-Desmethyl Imatinib Mesylate
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