Compound: Purmorphamine
SMILES: O1CCN(c2ccc(Nc3nc(Oc4c5c(ccc4)cccc5)nc6c3ncn6C7CCCCC7)cc2)CC1
InChIKey: FYBHCRQFSFYWPY-UHFFFAOYSA-N
Synonyms: Purmorphamine, 483367-10-8, PB12M2F8KY, 9-cyclohexyl-N-(4-morpholin-4-ylphenyl)-2-naphthalen-1-yloxypurin-6-amine, 9H-Purin-6-amine, 9-cyclohexyl-N-(4-(4-morpholinyl)phenyl)-2-(1-naphthalenyloxy)-, CHEBI:63053, DTXSID20415293, 9-Cyclohexyl-N-(4-(4-morpholinyl)phenyl)-2-(1-naphthalenyloxy)-9H-purin-6-amine, 9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6-amine, 9-Cyclohexyl-N-[4-(4-morpholinyl)phenyl]-2-(1-naphthalenyloxy)-9H-purin-6-amine, 9-cyclohexyl-N-(4-(morpholin-4-yl)phenyl)-2-(naphthalen-1-yloxy)-9H-purin-6-amine, RefChem:177303, DTXCID10366144, Shh Signaling Antagonist VI, 2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine, Purmorphamine [MI], 9-cyclohexyl-N-(4-morpholinophenyl)-2-(naphthalen-1-yloxy)-9H-purin-6-amine, Purmorphamine (GMP), MFCD09037557, CHEMBL1221984, 2-(1-Napthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine, 9-Cyclohexyl-N-[4-(morpholinyl)phenyl]-2-(1-naphthalenyloxy)-9H-purin-6-amine, UNII-PB12M2F8KY, Purmorphamine?, C31H32N6O2, MolMap_000073, MLS006010334, orb1307399, SCHEMBL1548273, SCHEMBL29358352, GTPL10356, EX-A348, FYBHCRQFSFYWPY-UHFFFAOYSA-N, GLXC-06182, HMS3650O20, HMS3651D16, BDBM50324671, HB3412, HSCI1_000224, HY-15108G, NSC747596, s3042, AKOS024458218, CCG-269857, CS-1135, FP27264, NSC-747596, SB19498, NCGC00344053-01, NCGC00344053-09, Purmorphamine - CAS 483367-10-8, AC-37628, AS-56474, DA-05531, HY-15108, SMR004701397, CS-0626102, SW219909-1, F11453, SR-01000946316, SR-01000946316-1, BRD-K73397362-001-01-7, BRD-K73397362-001-06-6, BRD-K73397362-001-07-4, Q15409344, 9-cyclohexyl-N-(4-morpholinophenyl)-2-(1-naphthyloxy)purin-6-amine, 9-cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-(naphthalen-1-yloxy)-9H-purin-6 -amine, 9-Cyclohexyl-N-[4-(morpholin-4-yl)phenyl]-2-[(naphthalen-1-yl)oxy]-9H-purin-6-amine
Theoretical properties:
molecular_formula: C31H32N6O2
molecular_weight: 520.6 g/mol
exact_mass: 520.25867428 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 7
rotatable_bond_count: 6
heavy_atom_count: 39
topological_polar_surface_area: 77.3 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Purmorphamine is a member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group. It has a role as a SMO receptor agonist and an osteogenesis regulator. It is a member of purines, an aromatic ether, a member of morpholines and a secondary amino compound. It derives from a hydride of a 9H-purine.
chebi: A member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group.
chembl: PURMORPHAMINE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Purmorphamine was the first small-molecule agonist developed for the protein Smoothened, a key part of the hedgehog signaling pathway, which is involved in bone growth, cardiovascular regeneration and brain development as well as having a number of other functions in the body. Purmorphamine has been shown to induce osteogenesis in bone tissue as well as influencing growth and differentiation of neurons in the brain.