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Reversine 25mg

CAT: 0628-A13250-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A13250-25Size:25 mg
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CAS Number
656820-32-5

Chemical Information

Reversine

Reversine is a member of the class of purines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by a [4-(morpholin-4-yl)phenyl]nitrilo group and a cyclohexylamino group, respectively. It has a role as an antineoplastic agent, a cell dedifferentiation agent, an adenosine A3 receptor antagonist and an Aurora kinase inhibitor. It is a member of purines, a member of morpholines, a secondary amino compound and a tertiary amino compound. It is functionally related to a 9H-purine-2,6-diamine.

CAS Number656820-32-5
PubChem CID210332
IUPAC Name6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine
Molecular FormulaC21H27N7O
Molecular Weight393.5
XLogP3.9
Topological Polar Surface Area91
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity503
SMILES
C1CCC(CC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5
InChI
InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
InChIKey
ZFLJHSQHILSNCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Reversine
CAS: 656820-32-5
CID: 210332
Formula: C21H27N7O
MW: 393.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass393.22770851
Monoisotopic Mass393.22770851
Topological Polar Surface Area91 Ų
Heavy Atom Count29
Formal Charge0
Complexity503
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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