Etoprine
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Etoprine
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CAS No:
18588-57-3
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Formula:
C12H12Cl2N4
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Chemical Name:
Etoprine
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Synonyms:
2,4-Pyrimidinediamine,5-(3,4-dichlorophenyl)-6-ethyl-;Pyrimidine,2,4-diamino-5-(3,4-dichlorophenyl)-6-ethyl-;5-(3,4-Dichlorophenyl)-6-ethyl-2,4-pyrimidinediamine;2,4-Diamino-5-(3′,4′-dichlorophenyl)-6-ethylpyrimidine;Ethodichlorophen;2,4-Diamino-5-(3,4-dichlorophenyl)-6-ethylpyrimidine;Etoprine;DDEP;NSC 3062
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CAS No:
Description
Etoprine is a lipophilic, diaminopyrimidine folate antagonist with potential antineoplastic activity. Etoprine inhibits dihydrofolate reductase, resulting in decreased cellular folate metabolism. This may eventually result in a reduction of cellular growth and the induction of apoptosis. In addition, this agent inhibits histamine-N-methyltransferase, resulting in decreased histamine catabolism. Lipid-soluble etoprine is capable of crossing the blood-brain barrier.
Characteristics
77.82000
4.33960
1.398g/cm3
229-232 °C @ Solvent: Ethanol, Water
518.3ºC
267.3ºC
1.661
7.59E-11mmHg at 25°C
Computed Properties
Molecular Weight:283.15
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:282.0439018
Monoisotopic Mass:282.0439018
Topological Polar Surface Area:77.8
Heavy Atom Count:18
Complexity:279
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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