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#	R1893
CAS	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
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.

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Storage	-20 °C or below
Solubility	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