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Merck
CN

SML2450

BIIE 0246 hydrochloride

≥98% (HPLC)

别名:

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

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关于此项目

经验公式（希尔记法）:
C49H57N11O6 · xHCl
化学文摘社编号:
246146-55-4
分子量:
896.05 (free base basis)
UNSPSC Code:
12352200
NACRES:
NA.77

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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

assay

≥98% (HPLC)

form

powder

storage condition

desiccated

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Biochem/physiol Actions

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

存储类别

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
0000171013
0000171013
0000122966
0000125490
0000125491

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Bouchaïb El Bahh et al.
British journal of pharmacology, 136(4), 502-509 (2002-06-11)
Neuropeptide Y (NPY) has been shown to suppress synaptic excitation in rat hippocampus by a presynaptic action. The Y(2) (Y(2)R) and the Y(5) (Y(5)R) receptors have both been implicated in this action. We used the non-peptide, Y(2)R-selective antagonist, BIIE0246, to
C Lu et al.
Oncogene, 29(41), 5630-5642 (2010-08-03)
Neuroblastomas are pediatric tumors that develop from sympathetic precursors and express neuronal proteins, such as neuropeptide Y (NPY). NPY is a sympathetic neurotransmitter acting via multiple receptors (Y1-Y5R). Both NPY and Y2Rs are commonly expressed in neuroblastoma cell lines and
Y Dumont et al.
British journal of pharmacology, 129(6), 1075-1088 (2000-03-22)
1. BIIE0246, a newly synthesized non-peptide neuropeptide Y (NPY) Y(2) receptor antagonist, was able to compete with high affinity (8 to 15 nM) for specific [(125)I]PYY(3 - 36) binding sites in HEK293 cells transfected with the rat Y(2) receptor cDNA

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