Compound: 380221-63-6
SMILES: O=C(NC1CCN(c2ncccc2)CC1)NCCNC(=O)c3nc(NCC(c4ccccc4)c5ccccc5)c6ncn(c6n3)[C@@H]7O[C@H](C(=O)NCC)[C@H]([C@H]7O)O
InChIKey: ZOTHAEBAWXWVID-HXEFRTELSA-N
Synonyms: 380221-63-6, UK-432097, 8L3OAJ1R5A, 6-((2,2-Diphenylethyl)amino)-9-(N-ethyl-beta-D-ribofuranosyluronamide)-N-(2-(N'-(1-(2-pyridyl)-4-piperidyl)ureido)ethyl)-9H-purine-2-carboxamide, beta-D-Ribofuranuronamide, 1-deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-, 1-Deoxy-1-(6-((2,2-diphenylethyl)amino)-2-(((2-((((1-(2-pyridinyl)-4-piperidinyl)amino)carbonyl)amino)ethyl)amino)carbonyl)-9H-purin-9-yl)-N-ethyl-beta-D-ribofuranuronamide, 1-Deoxy-1-[6-[(2,2-diphenylethyl)amino]-2-[[[2-[[[[1-(2-pyridinyl)-4-piperidinyl]amino]carbonyl]amino]ethyl]amino]carbonyl]-9H-purin-9-yl]-N-ethyl-beta-D-ribofuranuronamide, 6-[(2,2-diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide, 6-((2,2-diphenylethyl)amino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl)-N-(2-(((1-(pyridin-2-yl)piperidin-4-yl)carbamoyl)amino)ethyl)-9H-purine-2-carboxamide, BETA-D-RIBOFURANURONAMIDE, 1-DEOXY-1-[6-[(2,2-DIPHENYLETHYL)AMINO]-2-[[[2-[[[[1-(2-PYRIDINYL)-4-PIPERIDINYL]AMINO]CARBONYL]AMINO]ETHYL]AMINO]CARBONYL]-9H-PURIN-9-YL]-N-ETHYL-, RefChem:907567, UK-432,097, UNII-8L3OAJ1R5A, CHEMBL1096896, UK432097, 6-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2-[(1-Pyridin-2-Ylpiperidin-4-Yl)carbamoylamino]ethyl]purine-2-Carboxamide, 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide, 6-(2,2-diphenylethylamino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(2-(3-(1-(pyridin-2-yl)piperidin-4-yl)ureido)ethyl)-9H-purine-2-carboxamide, 3qak, ZOTHAEBAWXWVID-HXEFRTELSA-N, UKA, SCHEMBL726361, GTPL8420, orb1699064, SCHEMBL29379667, DTXSID70431408, 6-[(2,2-Diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl]-9H-purine-2-carboxamide, 6-[(2,2-Diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl]-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide, 6-[(2,2-diphenylethyl)amino]-9-{(2r,3r,4s,5s)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-n-(2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl)-9h-purine-2-carboxamide, 6-[(2,2-Diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-N-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide, BDBM50316212, AKOS040749703, DB12691, 6-((2,2-diphenylethyl)amino)-9-((2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl)-N-(2-(3-(1-(pyridin-2-yl)piperidin-4-yl)ureido)ethyl)-9H-purine-2-carboxamide, DA-78758, HY-107046, UK432,097, CS-0027205, NS00073055, E99036, Q6592047, .BETA.-D-RIBOFURANURONAMIDE, 1-DEOXY-1-(6-((2,2-DIPHENYLETHYL)AMINO)-2-(((2-((((1-(2-PYRIDINYL)-4-PIPERIDINYL)AMINO)CARBONYL)AMINO)ETHYL)AMINO)CARBONYL)-9H-PURIN-9-YL)-N-ETHYL-, 2-(3-(1-(pyridin-2-yl)piperidin-4-yl)ureido)ethyl-6-N-(2,2-diphenylethyl)-5'-N-ethylcarboxamidoadenosine-2-carboxamide, 6-((2,2-DIPHENYLETHYL)AMINO)-9-(N-ETHYL-.BETA.-D-RIBOFURANOSYLURONAMIDE)-N-(2-(N'-(1-(2-PYRIDYL)-4-PIPERIDYL)UREIDO)ETHYL)-9H-PURINE-2-CARBOXAMIDE, 6-[(2,2-diphenylethyl)amino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxytetrahydrofuran-2-yl]-N-[2-({[1-(pyridin-2-yl)piperidin-4-yl]carbamoyl}amino)ethyl]-9H-purine-2-carboxamide (non-preferred name), 6-[(2,2-Diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-N-{2-[({[-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9H-purine-2-carboxamide, 6-[(2,2-diphenylethyl)amino]-9-{(2r,3r,4s,5s)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}n-{2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl}-9h-purine-2-carboxamide, 6-[2,2-di(phenyl)ethylamino]-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
Theoretical properties:
molecular_formula: C40H47N11O6
molecular_weight: 777.9 g/mol
exact_mass: 777.37107826 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 7
hydrogen_bond_acceptor_count: 12
rotatable_bond_count: 14
heavy_atom_count: 57
topological_polar_surface_area: 221 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
chembl: UK432097 is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: UK-432,097 is a drug developed by Pfizer for the treatment of chronic obstructive pulmonary disease, which acts as a potent and selective agonist of the adenosine A2A receptor. It was discontinued from clinical trials following poor efficacy results, but its high selectivity has made it useful for detailed mapping of the internal structure of the A2A receptor.