Difelikefalin

• CAT Number: I006487
• CAS Number: 1024828-77-0
• Molecular Formula: C36H53N7O6
• Molecular Weight: 679.863
• Purity: ≥95%
• Target: Peripheral kappa opioid receptor agonist
• Solubility: Soluble in DMSO, not in water
• Storage: 0 - 4°C for short term or -20 °C for long term
• IUPAC Name: 4-amino-1-[(2R)-6-amino-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]piperidine-4-carboxylic acid
• InChI: InChI=1S/C36H53N7O6/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/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)/t27-,28-,29-,30-/m1/s1
• InChIKey: FWMNVWWHGCHHJJ-SKKKGAJSSA-N
• SMILES: CC(C)CC(C(=O)NC(CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)N

Difelikefalin, also known CR-845; MR-13A-9; MR-13A9, is a novel and potent kappa opioid receptor agonist. CR845 exhibit low P450 CYP inhibition and low penetration into the brain. CR845 may be useful in the prophylaxis and treatment of pain and inflammation associated with a variety of diseases and conditions.

Reference

1: Cowan A, Kehner GB, Inan S. Targeting Itch with Ligands Selective for κ Opioid Receptors. Handb Exp Pharmacol. 2015;226:291-314. doi: 10.1007/978-3-662-44605-8_16. Review. PubMed PMID: 25861786.