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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H53N7O6.C2H4O2
Molecular Weight 739.9027
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIFELIKEFALIN ACETATE

SMILES

CC(C)C[C@]([H])(C(=N[C@]([H])(CCCCN)C(=O)N1CCC(CC1)(C(=O)O)N)O)N=C([C@@]([H])(Cc2ccccc2)N=C([C@@]([H])(Cc3ccccc3)N)O)O.CC(=O)O

InChI

InChIKey=MZWHRPKAHCWTOI-KGURMGBCSA-N
InChI=1S/C36H53N7O6.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t27-,28-,29-,30-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C36H53N7O6
Molecular Weight 679.8507
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Difelikefalin is an orally bioavailable second-generation peptide. It is an investigational peripheral kappa opioid receptor agonist. Difelikefalin significantly reduced moderate to severe chronic itching while achieving across-the-board clinically meaningful improvements in quality of life measures in patients with hemodialysis-associated pruritus in a phase 2 study. In a phase 2 clinical investigation, difelikefalin was safe, well tolerated and showed robust analgesic activity for postoperative pain in female patients undergoing laparoscopy, with a significant reduction in post-operative morphine consumption and opioid-related side effects. Now difelikefalin is in phase III clinical trials for the treatment of post-operative pain and pruritus.

Approval Year

Sample Use Guides

In Vivo Use Guide
Sources: DOI: 10.19080/JPCR.2017.02.555588
Single dose - 0.04 mg/kg
Route of Administration: Intravenous
Substance Class Chemical
Created
by admin
on Sat Jun 26 07:41:14 UTC 2021
Edited
by admin
on Sat Jun 26 07:41:14 UTC 2021
Record UNII
0P70AR5BYB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIFELIKEFALIN ACETATE
Common Name English
4-AMINO-1-(D-PHENYLALANYL-D-PHENYLALANYL-D-LEUCYL-D-LYSL)-PIPERIDINE-4-CARBOXYLIC ACID, ACETATE SALT
Common Name English
CR-845 ACETATE
Common Name English
Code System Code Type Description
PUBCHEM
91864509
Created by admin on Sat Jun 26 07:41:14 UTC 2021 , Edited by admin on Sat Jun 26 07:41:14 UTC 2021
PRIMARY
EVMPD
SUB195303
Created by admin on Sat Jun 26 07:41:14 UTC 2021 , Edited by admin on Sat Jun 26 07:41:14 UTC 2021
PRIMARY
FDA UNII
0P70AR5BYB
Created by admin on Sat Jun 26 07:41:14 UTC 2021 , Edited by admin on Sat Jun 26 07:41:14 UTC 2021
PRIMARY
CAS
1024829-44-4
Created by admin on Sat Jun 26 07:41:14 UTC 2021 , Edited by admin on Sat Jun 26 07:41:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY