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Substance Name: UK-432097
RN: 380221-63-6
UNII: 8L3OAJ1R5A
InChIKey: ZOTHAEBAWXWVID-HXEFRTELSA-N

Note

  • A highly potent and selective agonist and drug candidate for chronic obstructive pulmonary disease (COPD) treatment.

Molecular Formula

  • C40-H47-N11-O6

Molecular Weight

  • 777.8823
 
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Names and Synonyms

Name of Substance

  • UK-432097

Synonyms

  • 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-
  • UK-432,097
  • UK-432097
  • UNII-8L3OAJ1R5A

Registry Numbers

CAS Registry Number

  • 380221-63-6

FDA UNII

  • 8L3OAJ1R5A

System Generated Number

  • 0380221636

Structure Descriptors

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

InChIKey

ZOTHAEBAWXWVID-HXEFRTELSA-N

Smiles

CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O