UKA

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


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Chemical Component Summary

Name6-(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
Identifiers6-(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
FormulaC40 H47 N11 O6
Molecular Weight777.871
TypeNON-POLYMER
Isomeric SMILESCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)O)O
InChIInChI=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
InChIKeyZOTHAEBAWXWVID-HXEFRTELSA-N

Chemical Details

Formal Charge0
Atom Count104
Chiral Atom Count4
Bond Count110
Aromatic Bond Count28

Drug Info: DrugBank

DrugBank IDDB12691 
NameUK-432097
Groups investigational
DescriptionUK-432,097 has been used in trials studying the treatment of Pulmonary Disease, Chronic Obstructive.
SynonymsUK-432097
Categories
  • Adenosine A receptor agonists
  • Adenosine A2 Receptor Agonists
  • Heterocyclic Compounds, Fused-Ring
  • Nucleic Acids, Nucleotides, and Nucleosides
  • Nucleosides
CAS number380221-63-6

Related Resource References

Resource NameReference
Pharos CHEMBL1096896
PubChem 9833519
ChEMBL CHEMBL1096896