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.
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
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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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