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Chemical structure of Difelikefalin

GC60137

Difelikefalin

Also known as 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

Difelikefalin (CR-845; FE-202845) is a peripherally restricted and selective agonist of kappa opioid receptor (KOR)

ChemicalCAS1024828-77-0MW679.85FormulaC36H53N7O6
CAS number
1024828-77-0
Molecular weight
679.85
Formula
C36H53N7O6
Solubility
DMSO ： 100 mg/mL (147·09 mM; Need ultrasonic); H2O ： ≥ 100 mg/mL (147·09 mM)
InChIKey
FWMNVWWHGCHHJJ-SKKKGAJSSA-N
Catalogue number
GC60137
Brand
GLPBIO
Computed properties PubChem CID 24794466 · XLogP -0.6 · TPSA 223 Ų · H-bond donors 7
XLogP
-0.6
TPSA
223 Ų
H-bond donors
7
H-bond acceptors
9
Rotatable bonds
18
Heavy atoms
49

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

Computed descriptors from PubChem (CID 24794466), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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