UK-432,097

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UK-432,097

IUPAC name 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
Identifiers
Abbreviations	UK-432,097
CAS number	380221-63-6^Y
PubChem	9833519
ChemSpider	8009243^N
Jmol-3D images	{{#if:O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c5nc3c(ncn3[C@@H]4O[C@H](C(=O)NCC)[C@@H](O)[C@H]4O)c(n5)NCC(c6ccccc6)c7ccccc7\|Image 1
SMILES O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c5nc3c(ncn3[C@@H]4O[C@H](C(=O)NCC)[C@@H](O)[C@H]4O)c(n5)NCC(c6ccccc6)c7ccccc7
InChI InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1^N Key: ZOTHAEBAWXWVID-HXEFRTELSA-N^N
Properties
Molecular formula	C₄₀H₄₇N₁₁O₆
Molar mass	777.87 g mol⁻¹
N (verify) (what is: Y/N?) Except where noted otherwise, data are given for materials in their standard state (at 25 °C (77 °F), 100 kPa)
Infobox references

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 A_2A receptor.^[1] It was discontinued from clinical trials following poor efficacy results,^[2] but its high selectivity has made it useful for detailed mapping of the internal structure of the A_2A receptor.^[3]

References

↑ Russo, Cristina; Arcidiacono, Giuseppe; Polosa, Riccardo (2006). "Adenosine receptors: promising targets for the development of novel therapeutics and diagnostics for asthma". Fundamental and Clinical Pharmacology 20 (1): 9–19. doi:10.1111/j.1472-8206.2005.00388.x. PMID 16448391.
↑ Safety And Efficacy Of UK-432,097 In Chronic Obstructive Pulmonary Disease. ClinicalTrials.gov
↑ Xu F, Wu H, Katritch V, Han GW, Jacobson KA, Gao ZG, Cherezov V, Stevens RC (March 2011). "Structure of an Agonist-Bound Human A2A Adenosine Receptor". Science 332 (6027): 322–7. doi:10.1126/science.1202793. PMC 3086811. PMID 21393508.

Agonists	2-(1-Hexynyl)-N-methyladenosine 2-Cl-IB-MECA 2'-MeCCPA 5'-N-ethylcarboxamidoadenosine ATL-146e BAY 60–6583 CCPA CGS-21680 CP-532,903 GR 79236 LUF-5835 LUF-5845 N⁶-Cyclopentyladenosine Regadenoson SDZ WAG 994 UK-432,097

Antagonists	8-Phenyl-1,3-dipropylxanthine Acefylline Aminophylline Bamifylline Caffeine CGS-15943 8-Chlorotheophylline CPX CVT-6883 Dimethazan DPCPX Fenethylline Istradefylline KF-26777 MRE3008F20 MRS-1220 MRS-1334 MRS-1706 MRS-1754 MRS-3777 Paraxanthine Pentoxifylline Preladenant Propentofylline PSB-10 PSB-11 PSB 36 PSB-603 PSB-788 PSB-1115 Rolofylline SCH-442,416 SCH-58261 Theobromine Theophylline VUF-5574 ZM-241,385

ENT inhibitors	Dilazep Dipyridamole Hexobendine Pentoxifylline Propentofylline Barbiturates Ethanol Benzodiazepines

VNT inhibitors

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