3,5-dichloro-2-methoxy-6-(trichloromethyl)-1H-pyridin-4-one
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3,5-dichloro-2-methoxy-6-(trichloromethyl)-1H-pyridin-4-one
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CAS No:
176046-79-0
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Formula:
C7H4Cl5NO2
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Chemical Name:
3,5-dichloro-2-methoxy-6-(trichloromethyl)-1H-pyridin-4-one
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Synonyms:
4-demethylpenclomedine; 3,5-dichloro-2-methoxy-6-(trichloromethyl)pyridin-4(1h)-one; 3,5-dichloro-2-methoxy-4-hydroxy-6-(trichloromethyl)-pyridine;
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CAS No:
3,5-dichloro-2-methoxy-6-(trichloromethyl)-1H-pyridin-4-one Basic Attributes
311.37700
310.865517 g/mol
XUK71J2M0Q
682691
DTXSID90327758
Drug Information
Investigated for use/treatment in solid tumors.
DMPEN (4,o-demethylpenclomedine) is the highly reactive principal alkylating metabolite of Penclomedine (PEN), a multichlorinated alpha-picoline derivative. DM-PEN’s proposed mechanism of action begins with activation by free radical formation in the liver, where it is then transported to tumor cells via the circulation system. The free radical moiety forms an adduct with DNA, and interstrand crosslinking occurs through the 5-chloro moiety. The 5-chloro moiety is then activated by keto-enol tautomerism, producing the alkylating group, an alpha-haloketo function.
4-demethylpenclomedine
Computed Properties
Molecular Weight:311.4
XLogP3:3.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:310.865517
Monoisotopic Mass:308.868467
Topological Polar Surface Area:38.3
Heavy Atom Count:15
Complexity:368
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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