Mitozolomide
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Mitozolomide
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CAS No:
85622-95-3
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Formula:
C7H7ClN6O2
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Chemical Name:
Mitozolomide
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Synonyms:
Imidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide,3-(2-chloroethyl)-3,4-dihydro-4-oxo-;3-(2-Chloroethyl)-3,4-dihydro-4-oxoimidazo[5,1-d]-1,2,3,5-tetrazine-8-carboxamide;M and B 39565;CCRG 81010;Mitozolomide;Azolastone;NSC 353451;8-Carbamoyl-3-(2-chloroethyl)-imidazo[5,1-d]-1,2,3,5-tetrazin-4-one
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CAS No:
Description
Mitozolomide is a prodrug of imidazotetrazine alkylating agent with antineoplastic property. Mitozolomide undergoes ring opening upon the nucleophilic attack at C-4 by an activated molecule of water within the major groove of DNA. The resulting bioactive mono-alkyltriazene species are capable of alkylating nucleophilic residues in the immediate vicinity such as N-7 and/or O-6 sites of guanine, thereby causes intra- or inter-stranded DNA cross-links and trigger apoptosis.
Characteristics
106 Ų
-0.47 (LogP)
2.3677
164.5°C
1.5560 (estimate)
H2O 0.0 (mg/mL)|Buffer, pH 4 0.0 (mg/mL)|Buffer, pH 9 <= 0.7 (mg/mL)|EtOH 0.0 (mg/mL)|DMA <= 4.9 (mg/mL)|DMSO <= 5.1 (mg/mL)|CHCl3 <= 0.7 (mg/mL)|EtOAc 0.0 (mg/mL)|t-BuOH 0.0 (mg/mL)|90% BuOH <= 0.8 (mg/mL)|Ether 0.0 (mg/mL)|THF <= 2.0 (mg/mL)
Drug Information
Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)
8-carbamoyl-3-(2-chloroethyl)imidazo(5,1-d)-1,2,3,5-tetrazin-4(3H)-one
Computed Properties
Molecular Weight:242.62
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:242.0319012
Monoisotopic Mass:242.0319012
Topological Polar Surface Area:106
Heavy Atom Count:16
Complexity:348
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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