SML2450

BIIE 0246 hydrochloride

≥98% (HPLC)

• Synonym(s): AR-H 053591 hydrochloride, BIIE-0246 hydrochloride, N-[(1S)-4-[(Aminoiminomethyl)amino]-1-[[[2-(3,5-dioxo-1,2-diphenyl-1,2,4-triazolidin-4-yl)ethyl]amino]carbonyl]butyl]-1-[2-[4-(6,11-dihydro-6-oxo-5H-dibenz[b,e]azepin-11-yl)-1-piperazinyl]-2-oxoethyl]cyclopentaneacetamide
• Empirical Formula (Hill Notation): C₄₉H₅₇N₁₁O₆ · xHCl
• CAS Number: 246146-55-4
• Molecular Weight: 896.05 (free base basis)
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: [n]2([n]([c]([n]([c]2=O)CCNC(=O)[C@@H](NC(=O)CC8(CCCC8)CC(=O)N4CCN(CC4)C5c6c(cccc6)NC(=O)c7c5cccc7)CCCNC(=N)N)=O)c3ccccc3)c1ccccc1
• InChI: 1S/C49H57N11O6/c50-46(51)53-25-13-22-40(45(64)52-26-27-58-47(65)59(34-14-3-1-4-15-34)60(48(58)66)35-16-5-2-6-17-35)54-41(61)32-49(23-11-12-24-49)33-42(62)56-28-30-57(31-29-56)43-36-18-7-8-19-37(36)44(63)55-39-21-10-9-20-38(39)43/h1-10,14-21,40,43H,11-13,22-33H2,(H,52,64)(H,54,61)(H,55,63)(H4,50,51,53)/t40-,43?/m0/s1
• InChI key: RSJAXPUYVJKAAA-JPGJPTAESA-N

Description

Biochem/physiol Actions

BIIE0246 is a high-affinity, competitive non-peptide antagonist for the neuropeptide Y (NPY) Y2 receptor (K_i = 8-15 nM). BIIE0246 potently blocks NPY effects in rat hippocampus.

First selective non-peptide neuropeptide Y Y2 receptor antagonist

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable