UK-432,097

UK-432,097
Kekulé skeletal formula of UK-432,097
Names
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
3D model (JSmol)
Abbreviations UK-432,097
ChemSpider
PubChem <abbr title="<nowiki>Compound ID</nowiki>">CID
CompTox Dashboard (<abbr title="<nowiki>U.S. Environmental Protection Agency</nowiki>">EPA)
  • 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).
☒N verify (what is ☑Y☒N ?)
Infobox references

UK-432,097 là một loại thuốc được phát triển bởi Pfizer để điều trị bệnh phổi tắc nghẽn mạn tính, hoạt động như một chất chủ vận mạnh và chọn lọc của thụ thể adenosine A2A.[1] Nó đã bị ngừng thử nghiệm lâm sàng sau khi có kết quả hiệu quả kém,[2] nhưng tính chọn lọc cao của nó đã giúp ích cho việc lập bản đồ chi tiết cấu trúc bên trong của thụ thể A2A.[3]

Tham khảo

  1. ^ 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.
  2. ^ Safety And Efficacy Of UK-432,097 In Chronic Obstructive Pulmonary Disease. ClinicalTrials.gov
  3. ^ Xu F, Wu H, Katritch V, Han GW, Jacobson KA, Gao ZG, Cherezov V, Stevens RC (tháng 3 năm 2011). “Structure of an Agonist-Bound Human A2A Adenosine Receptor”. Science. 332 (6027): 322–7. doi:10.1126/science.1202793. PMC 3086811. PMID 21393508.

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