Cannabis Ruderalis

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Updating {{drugbox}} (changes to watched fields) per Chem/Drugbox validation (report errors or bugs)
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m Remove redundant parameters InChI, InChIKey (StdInChI, StdInChIKey are used). See Talk (via AWB script)
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| ChemSpiderID = 8654468
| ChemSpiderID = 8654468
| smiles = FC(F)(F)CCCS(=O)(=O)Oc2cc(Oc1cccc(c1C#N)C(F)(F)F)ccc2
| smiles = FC(F)(F)CCCS(=O)(=O)Oc2cc(Oc1cccc(c1C#N)C(F)(F)F)ccc2
| InChI = 1/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
| InChIKey = LWUSZIVDPJPVBW-UHFFFAOYAQ
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI_Ref = {{stdinchicite|correct|chemspider}}
| StdInChI = 1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2
| StdInChI = 1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2

Revision as of 15:15, 2 April 2016

BAY 59-3074
Legal status
Legal status
  • In general: legal
Identifiers
  • 3-[2-Cyano-3-(trifluoromethyl)phenoxy]phenyl 4,4,4-trifluoro-1-butanesulfonic acid ester
CAS Number
PubChem CID
ChemSpider
Chemical and physical data
FormulaC18H13F6NO4S
Molar mass453.35 g/mol g·mol−1
3D model (JSmol)
  • FC(F)(F)CCCS(=O)(=O)Oc2cc(Oc1cccc(c1C#N)C(F)(F)F)ccc2
  • InChI=1S/C18H13F6NO4S/c19-17(20,21)8-3-9-30(26,27)29-13-5-1-4-12(10-13)28-16-7-2-6-15(14(16)11-25)18(22,23)24/h1-2,4-7,10H,3,8-9H2 checkY
  • Key:LWUSZIVDPJPVBW-UHFFFAOYSA-N checkY
  (verify)

BAY 59-3074 is a drug which is a cannabinoid receptor partial agonist developed by Bayer AG. It has analgesic effects and is used in scientific research. It is orally active in animals, and has modest affinity for both CB1 and CB2 receptors, with Ki values of 48.3nM at CB1 and 45.5nM at CB2.[1][2]

References

  1. ^ De Vry J, Denzer D, Reissmueller E, Eijckenboom M, Heil M, Meier H, Mauler F. 3-[2-cyano-3-(trifluoromethyl)phenoxy]phenyl-4,4,4-trifluoro-1-butanesulfonate (BAY 59-3074): a novel cannabinoid Cb1/Cb2 receptor partial agonist with antihyperalgesic and antiallodynic effects. Journal of Pharmacology and Experimental Therapeutics. 2004 Aug;310(2):620-32. PMID 15140913
  2. ^ De Vry J, Jentzsch KR. Discriminative stimulus effects of the structurally novel cannabinoid CB1/CB2 receptor partial agonist BAY 59-3074 in the rat. European Journal of Pharmacology. 2004 Nov 28;505(1-3):127-33. PMID 15556145


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