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159013-54-4

159013-54-4 Structure

159013-54-4 Structure
IdentificationBack Directory
[Name]

BIBP 3226
[CAS]

159013-54-4
[Synonyms]

BIBP 3226 trifluoroa
BIBP 3226 trifluoroacetate
BIBP3226 trifluoroacetate salt Diphenylacetyl-D-Arg-4-hydroxybenzylamide trifluoroacetate salt
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Benzeneacetamide, N-[(1R)-4-[(aminoiminomethyl)amino]-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl]-α-phenyl-
N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-α-phenylbenzeneacetamidetrifluoroacetate
[Molecular Formula]

C27H31N5O3
[MDL Number]

MFCD00938562
[MOL File]

159013-54-4.mol
[Molecular Weight]

473.57
Chemical PropertiesBack Directory
[density ]

1.24±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

H2O: 1 mg/mL
[form ]

A solid
[pka]

9.71±0.15(Predicted)
[Water Solubility ]

H2O: 1mg/mL
[InChIKey]

KUWBXRGRMQZCSS-HSZRJFAPSA-N
[SMILES]

NC(=N)NCCC[C@@H](NC(=O)C(c1ccccc1)c2ccccc2)C(=O)NCc3ccc(O)cc3
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

BIBP3226 is a potent and selective neuropeptide Y Y1 (NPY Y1) and neuropeptide FF (NPFF) receptor antagonist, with Kis of 1.1, 79, and 108 nM for rNPY Y1, hNPFF2, and rNPFF, respectively. BIBP3226 displays anxiogenic-like effect[1][2].
[Biological Activity]

Mixed non-peptide neuropeptide Y Y 1 (NPY Y 1 ) and neuropeptide FF (NPFF) receptor antagonist (K i values are 1.1, 79, 108, > 1000, > 1000 and >1000 for rNPY Y 1 , hNPFF 2 , rNPFF, rNPY Y 2 , rNPY Y 4 and rNPY Y 5 respectively). Produces an anxiogenic-like effect in rats following i.c.v. administration.
[Biochem/physiol Actions]

Selective non-peptide neuropeptide Y1 (NPY1) receptor antagonist.
[in vivo]

BIBP3226 (0.5, 5 μg; i.c.v.; male Wistar rats) induces an anxiogenic-like effect at the higher dose[1].

[References]

[1] Mollereau C, et al. Agonist and antagonist activities on human NPFF(2) receptors of the NPY ligands GR231118 and BIBP3226. Br J Pharmacol. 2001 May;133(1):1-4. DOI:10.1038/sj.bjp.0704049
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