Difelikefalin (trifluoroacetate salt)

Difelikefalin is a kappa-opioid receptor (KOR) agonist. It activates KOR in HEK293 cells expressing the human receptor (EC50 = 0.16 nM in a transactivation assay) and inhibits forskolin-induced cAMP production in R1.G1 mouse thyoma cells (EC50 = 0.048 nM). Difelikefalin is selective for KOR over the µ-opioid receptor (MOR, EC50 = >1 µM in a transactivation assay). It reduces acetic acid-induced writhing, as well as scratching behavior induced by the KOR antagonist GNTI, in mice (ED50s = 0.07 and 0.05 mg/kg, respectively).Formal Name: N1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-amino-4-piperidinecarboxylic acid, trifluoroacetate salt. CAS Number: 2767426-81-1. Synonyms: CR845, FE 202845. Molecular Formula: C36H53N7O6 . XCF3COOH. Formula Weight: 679.9. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Ethanol: soluble. SMILES: N[C@H](CC1=CC=CC=C1)C(N[C@H](CC2=CC=CC=C2)C(N[C@H](CC(C)C)C(N[C@H](CCCCN)C(N3CCC(N)(CC3)C(O)=O)=O)=O)=O)=O.OC(C(F)(F)F)=O. InChi Code: InChI=1S/C36H53N7O6.C2HF3O2/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25,3-2(4,5)1(6)7/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49),(H,6,7)/t27-,28-,29-,30-,/m1./s1. InChi Key: DNTIYNDNHLWSLZ-KGURMGBCSA-N.