Difelikefalin

Difelikefalin is a novel and potent kappa-opioid receptor agonist, exhibits low P450 CYP inhibition and low penetration into the brain. Difelikefalin may be useful in the prophylaxis and treatment of pain and inflammation associated with a variety of diseases and conditions.

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CAT No: R1893

CAS No: 1024828-77-0

Synonyms/Alias: CR-845; MR-13A-9; MR-13A9

Chemical 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

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M.F/FormulaC36H53N7O6
M.W/Mr.679.8
AppearanceSolid powder
Purity>98%
Biological ActivityDifelikefalin, 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.
Long-term Storage ConditionsSoluble in DMSO, not in water
Shipping ConditionShipped at 4°C.
InChIInChI=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
InChI KeyFWMNVWWHGCHHJJ-SKKKGAJSSA-N
Canonical SMILESCC(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
Isomeric SMILESCC(C)C[C@H](C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC3=CC=CC=C3)N
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