BIBP 3226 trifluoroacetate , CAS No.1068148-47-9

CAS: 1068148-47-9 Cat. No.: B332344 Molecular Weight: 473.57 PubChem CID: 56972180

Synonyms

N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-α-phenylbenzeneacetamide ditrifluoroacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BIBP 3226 trifluoroacetate is a mixed NPY1-R (non-peptide neuropeptide Y Y1 receptor) and NPFF (neuropeptide FF) receptor inhibitor (K|i|values are 1.1, 79, 108, > 1000, > 1000 and >1000 for rNPY1-R, hNPFF2, rNPFF, rNPY2-R, rNPY4-R and rNPY5-R respectively). Following i.c.v. administration, BIBP 3226 trifluoroacetate produces an anxiogenic-like effect in rats.

Specifications

Synonyms

N-[(1R)]-4-[(Aminoiminomethyl)amino-1-[[[(4-hydroxyphenyl)methyl]amino]carbonyl]butyl-α-phenylbenzeneacetamide ditrifluoroacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)O.C(=O)(C(F)(F)F)O
• IUPAC Name: (2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
• InChIKey: MTSZIDSCWZHKOD-GNAFDRTKSA-N
• INCHI: 1S/C27H31N5O3.C2HF3O2/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21;3-2(4,5)1(6)7/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30);(H,6,7)/t23-;/m1./s1
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC3=CC=C(C=C3)O.C(=O)(C(F)(F)F)O
• RTECS: CY1480920
• PubChem CID: 56972180
• Molecular Weight: 473.57

Chemical and Physical Properties

• Solubility: Soluble in water (10 mM).
• Refractive Index: n20D1.63 (Predicted)
• Specific Rotation[α]: α20/D 21.4°, c = 1 in water