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Abandoned drugs
UK-432,097
Другие языки:

UK-432,097

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UK-432,097
Kekulé skeletal formula of UK-432,097
Names
Systematic IUPAC name
(12R,13R,14S,15S)-26-[(2,2-Diphenylethyl)amino]-N-ethyl-13,14-dihydroxy-3,8-dioxo-4,7,9-triaza-2(9,2)-purina-11(2)-pyridina-10(4,1)-piperidina-1(2)-oxolanaundecaphane-15-carboxamide
Identifiers
3D model (JSmol)
Abbreviations UK-432,097
ChEMBL
ChemSpider
PubChem CID
UNII
  • 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
  • O=C(NCC)[C@H]([C@@H](O)[C@H]1O)O[C@H]1N2C=NC3=C(NCC(C4=CC=CC=C4)C5=CC=CC=C5)N=C(C(NCCNC(NC6CCN(C7=NC=CC=C7)CC6)=O)=O)N=C32
  • 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
Properties
C40H47N11O6
Molar mass 777.887 g·mol−1
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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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.



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