JTE 7-31

JTE 7-31
Names
Preferred IUPAC name
2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-(pentylamino)-2,3-dihydro-1H-isoindol-1-one
Identifiers
3D model (JSmol)
ChemSpider
UNII
  • InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3 checkY
    Key: FMUMUYFMLZGXJR-UHFFFAOYSA-N checkY
  • InChI=1/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3
    Key: FMUMUYFMLZGXJR-UHFFFAOYAA
  • Oc1ccc(cc1)CCN3Cc2c(ccc(OC)c2NCCCCC)C3=O
Properties
C22H28N2O3
Molar mass 368.469 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
☒N verify (what is checkY☒N ?)

JTE 7-31 is a selective cannabinoid receptor agonist invented by Japan Tobacco.[1][2] It is a reasonably highly selective CB2 agonist, but still retains appreciable affinity at CB1, with a Ki of 0.088nM at CB2 vs 11nM at CB1.[3]

  1. ^ WO patent 1997/029079, Inaba T, Kaya T, Iwamura H, "Novel compounds and pharmaceutical use thereof", granted 1997-14-08 
  2. ^ US patent 6017919, Inaba T, Kaya T, Iwamura H, "Compounds and pharmaceutical use thereof", granted 2000-01-25 
  3. ^ Han S, Zhang FF, Qian HY, Chen LL, Pu JB, Xie X, Chen JZ (March 2015). "Design, syntheses, structure-activity relationships and docking studies of coumarin derivatives as novel selective ligands for the CB2 receptor". European Journal of Medicinal Chemistry. 93: 16–32. doi:10.1016/j.ejmech.2015.01.054. PMID 25644673.