Cannabis Ruderalis

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Updating {{drugbox}} (changes to verified fields - updated 'ChemSpiderID_Ref', 'StdInChI_Ref', 'StdInChIKey_Ref') per Chem/Drugbox validation (report errors or bugs)
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| DrugBank_Ref = {{drugbankcite|correct|drugbank}}
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| ChemSpiderID_Ref = {{chemspidercite|changed|chemspider}}
| ChemSpiderID = 8495084
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| InChI = 1/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
| InChI = 1/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
| InChIKey = QWHSUXWDDKWTOG-UHFFFAOYAM
| InChIKey = QWHSUXWDDKWTOG-UHFFFAOYAM
| StdInChI_Ref = {{stdinchicite|changed|chemspider}}
| StdInChI = 1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
| StdInChI = 1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3
| StdInChIKey_Ref = {{stdinchicite|changed|chemspider}}
| StdInChIKey = QWHSUXWDDKWTOG-UHFFFAOYSA-N
| StdInChIKey = QWHSUXWDDKWTOG-UHFFFAOYSA-N


Revision as of 08:46, 1 May 2014

JWH-198
Identifiers
  • (1-(2-morpholin-4-ylethyl)indol-3-yl)-4-methoxynaphthalen-1-ylmethanone
CAS Number
PubChem CID
ChemSpider
CompTox Dashboard (EPA)
Chemical and physical data
FormulaC26H26N2O3
Molar mass414.495 g/mol g·mol−1
3D model (JSmol)
  • C4COCCN4CCn2cc(c5ccccc25)C(=O)c3c1ccccc1c(OC)cc3
  • InChI=1S/C26H26N2O3/c1-30-25-11-10-22(19-6-2-3-8-21(19)25)26(29)23-18-28(24-9-5-4-7-20(23)24)13-12-27-14-16-31-17-15-27/h2-11,18H,12-17H2,1H3 ☒N
  • Key:QWHSUXWDDKWTOG-UHFFFAOYSA-N ☒N
 ☒NcheckY (what is this?)  (verify)

JWH-198 is a drug from the aminoalkylindole family which acts as a cannabinoid receptor agonist. It was invented by the pharmaceutical company Sanofi-Winthrop in the early 1990s. JWH-198 has a binding affinity at the CB1 receptor of 10nM, binding around four times more tightly than the parent compound JWH-200, which has no substitution on the naphthoyl ring.[1] It has been used mainly in molecular modelling of the cannabinoid receptors.[2][3]

See also

References

  1. ^ Huffman JW, Padgett LW. Recent Developments in the Medicinal Chemistry of Cannabimimetic Indoles, Pyrroles and Indenes. Current Medicinal Chemistry, 2005; 12: 1395-1411.
  2. ^ Eissenstat MA; et al. (August 1995). "Aminoalkylindoles: structure-activity relationships of novel cannabinoid mimetics". Journal of Medicinal Chemistry. 38 (16): 3094–105. doi:10.1021/jm00016a013. PMID 7636873. {{cite journal}}: Explicit use of et al. in: |author= (help)
  3. ^ Shim JY; et al. (November 1998). "Three-dimensional quantitative structure-activity relationship study of the cannabimimetic (aminoalkyl)indoles using comparative molecular field analysis". Journal of Medicinal Chemistry. 41 (23): 4521–32. doi:10.1021/jm980305c. PMID 9804691. {{cite journal}}: Explicit use of et al. in: |author= (help)


source: https://en.wikipedia.org/w/index.php?title=JWH-198&diff=prev&oldid=606597688

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