Olomoucine
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Olomoucine
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CAS No:
101622-51-9
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Formula:
C15H18N6O
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Chemical Name:
Olomoucine
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Synonyms:
Ethanol,2-[[9-methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-;2-[[9-Methyl-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]ethanol;6-(Benzylamino)-2-(2-hydroxyethylamino)-9-methylpurine;2-(2′-Hydroxyethylamino)-9-methyl-6-(benzylamino)purine;2-(2-Hydroxyethylamino)-6-(benzylamino)-9-methylpurine;Olomoucine;NSC 666096;2-(6-Benzylamino-9-methyl-9H-purin-2-ylamino)-ethanol;2-[[6-(Benzylamino)-9-methylpurin-2-yl]amino]ethanol
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CAS No:
Description
Solid
Olomoucine is a 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a cyclin-dependent kinase inhibitor. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a member of 2,6-diaminopurines and a member of ethanolamines.
Characteristics
87.89000
1.52560
white crystalline powder
1.36 g/cm3
125-126 °C
579.6ºC at 760 mmHg
304.3ºC
1.69
-20ºC
2.83E-14mmHg at 25°C
Drug Information
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)
ethanol, 2-((9-methyl-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-
Computed Properties
Molecular Weight:298.34
XLogP3:1.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:298.15420922
Monoisotopic Mass:298.15420922
Topological Polar Surface Area:87.9
Heavy Atom Count:22
Complexity:338
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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