BOHEMINE
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BOHEMINE
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CAS No:
189232-42-6
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Formula:
C18H24N6O
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Chemical Name:
BOHEMINE
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Synonyms:
6-benzylamino-2-(3-hydroxypropylamino)-9-isopropylpurine;bohemine;3-{[6-(benzylamino)-9-(propan-2-yl)-9h-purin-2-yl]amino}propan-1-ol;CHEMBL83980;CHEBI:86007;3-((6-(Benzylamino)-9-isopropyl-9H-purin-2-yl)amino)propan-1-ol;2-[(3-hydroxypropyl)amino]-6-benzylamino-9-isopropylpurine;3-{[6-(benzylamino)-9-isopropyl-9H-purin-2-yl]amino}propan-1-ol;1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
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CAS No:
Description
Bohemine is purine substituted on C-2, C-6 and N-9 with (3-hydroxypropyl)amino, benzylamino and isopropyl groups respectively; a synthetic, cell-permeable, cyclin-dependent kinase (CDK) inhibitor that is structurally similar to olomoucine and roscovitine. It has a role as an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor.
Characteristics
87.9
3.1
powder
1.27±0.1 g/cm3(Predicted)
101-103 °C
589.4±60.0 °C(Predicted)
chloroform: 50 mg/mL, soluble
−20°C
Computed Properties
Molecular Weight:340.4
XLogP3:3.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:340.20115941
Monoisotopic Mass:340.20115941
Topological Polar Surface Area:87.9
Heavy Atom Count:25
Complexity:390
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes