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.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.

CAT No: R1893

CAS No:1024828-77-0

Synonyms/Alias:Difelikefalin;1024828-77-0;CR845;CR-845;MR13A9;Difelikefalin [INN];difelicefalina;difelikefaline;Difelikefalin (CR845);FE202845;UNII-NA1U919MRO;NA1U919MRO;FE-202845;MR-13A9;CR 845;SEQ ID NO: 2;1024828-77-0 (free base);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;4-Piperidinecarboxylic acid, N1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-amino-;4-Piperidinecarboxylic acid, 4-amino-1-((2R)-6-amino-2-(((2R)-2-(((2R)-2-(((2R)-2-amino-1-oxo-3-phenylpropyl)amino)-1-oxo-3-phenylpropyl)amino)-4-methyl-1-oxopentyl)amino)-1-oxohexyl)-;1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-aminopiperidine-4-carboxylic acid;4-AMINO-1-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSYL)PIPERIDINE-4-CARBOXYLIC ACID;4-Piperidinecarboylic acid, 4-amino-1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-;N-((2R)-1-(((2R)-1-(((2R)-6-Amino-1-(4-amino-4-carboxy-1-piperidinyl)-1-oxo-2-hexanyl)amino)-4-methyl-1-oxo-2-pentanyl)amino)-1-oxo-3-phenyl-2-propanyl)-D-phenylalaninamide;difelikefalinum;Kapruvia;D-Phe-D-Phe-D-Leu-D-Lys-(gamma-(4-N-piperidinyl)amino carboxylic acid);D-Phe-D-Phe-D-Leu-D-Lys-[gamma-(4-N-piperidinyl)amino carboxylic acid];Difelikefalin TFA;Difelikefalin (USAN/INN);Difelikefalin [USAN:INN];DIFELIKEFALIN [USAN];DIFELIKEFALIN [WHO-DD];GTPL9044;CHEMBL3989915;SCHEMBL10316464;BDBM235785;DTXSID401032896;DIFELIKEFALIN ACETATE [JAN];BCP24752;EX-A5855;AKOS040756421;AT30197;DB11938;BD177570;DA-52529;HY-17609;MS-31091;CR-845; FE-202845;CS-0014687;NS00072889;D11111;US9359399, 2;EN300-7445060;Q21098992;4-amino-1-[(2R)-6-amino-2-[(2R)-2-[(2R)-2-[(2R)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-methylpentanamido]hexanoyl]piperidine-4-carboxylic acid;Difelikefalin; 4-Piperidinecarboxylic acid, N1-(D-phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-amino-; N1-(D-Phenylalanyl-D-phenylalanyl-D-leucyl-D-lysyl)-4-amino-4-piperidinecarboxylic acid; CR 845; Difelikefalin;

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

Custom Peptide Synthesis
cGMP Peptide
  • Registration of APIs
  • CMC information required for an IND
  • IND and NDA support
  • Drug master files (DMF) filing
M.F/Formula
C36H53N7O6
M.W/Mr.
679.8
Appearance
Solid powder
Purity
>98%
Biological Activity
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.
Long-term Storage Conditions
Soluble in DMSO, not in water
Shipping Condition
Shipped at 4°C.
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
InChI Key
FWMNVWWHGCHHJJ-SKKKGAJSSA-N
Canonical 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
Isomeric SMILES
CC(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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