Compound: Reversine
SMILES: O1CCN(c2ccc(Nc3nc(NC4CCCCC4)c5[nH]cnc5n3)cc2)CC1
InChIKey: ZFLJHSQHILSNCM-UHFFFAOYSA-N
Synonyms: Reversine, 656820-32-5, 2-(4-Morpholinoanilino)-6-cyclohexylaminopurine, CHEBI:70723, Z499CLJ023, DTXSID8041113, N(6)-cyclohexyl-N(2)-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine, N(6)-cyclohexyl-N(2)-(4-(morpholin-4-yl)phenyl)-9H-purine-2,6-diamine, RefChem:179034, DTXCID6021113, 636-256-0, C21H27N7O, CHEMBL188343, N6-cyclohexyl-N2-(4-morpholinophenyl)-7H-purine-2,6-diamine, N6-cyclohexyl-N2-(4-morpholinophenyl)-9H-purine-2,6-diamine, MFCD07784513, N~6~-Cyclohexyl-N~2~-(4-Morpholin-4-Ylphenyl)-9h-Purine-2,6-Diamine, 2vgo, UNII-Z499CLJ023, Reversine?, AD5, IN1127, REVERSINE [MI], 6-N-cyclohexyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine, MLS006010275, orb1307369, SCHEMBL1800790, SCHEMBL1800795, SCHEMBL29353565, EX-A268, GLXC-04582, HMS3229N05, HMS3747M21, BDBM50170831, HSCI1_000387, N6-Cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-1H-purine-2,6-diamine, s7588, Reversine, >=98% (HPLC), solid, AKOS025404909, AKOS026750224, CCG-268576, CS-1523, DB07340, SB19558, NCGC00165880-01, NCGC00165880-02, NCGC00165880-03, NCGC00165880-04, NCGC00165880-05, NCGC00165880-14, AC-32838, AS-56099, DA-41767, FR137712, HY-14711, SMR004701345, NS00069155, 2-(4-morpholinoanilino)-6-cyclohexylamino-purine, Q6138777, 2-(4-MORPHOLINOANILINO)-N6-CYCLOHEXYLADENINE, BRD-K77286328-001-01-1, BRD-K77286328-001-03-7, 1H-Purine-2,6-diamine, N6-cyclohexyl-N2-(4-(4-morpholinyl)phenyl)-, N*6*-Cyclohexyl-N*2*-(4-morpholin-4-yl-phenyl)-9H-purine-2,6-diamine, N~6~-Cyclohexyl-N~2~-[4-(morpholin-4-yl)phenyl]-9H-purine-2,6-diamine, N6-cyclohexyl-N2-[4-(4-morpholinyl)phenyl]-1H-purine-2, 6-diamine
Theoretical properties:
molecular_formula: C21H27N7O
molecular_weight: 393.5 g/mol
exact_mass: 393.22770851 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 5
heavy_atom_count: 29
topological_polar_surface_area: 91 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: 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.
chebi: A member of the class of purines that is 9<em>H</em>-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.
chembl: REVERSINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Reversine, or 2-(4-morpholinoanilino)-6-cyclohexylaminopurine, is a small molecule developed by the group of Peter G. Schultz, used for stem cell dedifferentiation.
It also has the potential to selectively induce cell death in cancer cells.
Reversine is known to act as an antagonist of the adenosine A3 receptor. Reversine is a potent inhibitor of the mitotic kinase Mps1 and it is widely used to study the process of chromosome segregation.