CAS 104113-71-5 1-(1-Naphthyl)piperazine hydrochloride (HCID 2737391)

基本情報

CAS: 104113-71-5
標準SMILES: Cl.c1ccc2c(N3CCNCC3)cccc2c1
InChIKey: ZYVYPNZFOCZLEM-UHFFFAOYSA-N
分子式: C14H17ClN2
平均分子量: 248.75 g/mol
単同位体質量: 248.10802622

名称と識別子

優先名称: 1-(1-Naphthyl)piperazine hydrochloride
IUPAC: 1-naphthalen-1-ylpiperazine;hydrochloride
現地名: 1-(ピペラジン-1-イル)ナフタレン
英語名: 1-(1-Naphthyl)piperazine hydrochloride
分子式: C14H17ClN2
分子量: 248.75

名称と別名

1-(1-Naphthyl)piperazine hydrochloride104113-71-51-(Naphthalen-1-yl)piperazine hydrochloridenaphthylpiperazine hydrochloride1-(1-Naphthyl)piperazine (hydrochloride)MFCD000551611-NP1-naphthalen-1-ylpiperazine;hydrochloride1-(1-Naphthyl)piperazine HCl1-(1-Naphthyl)piperazinemiddotHCl1-(Naphth-1-yl)piperazine diHCl1-Naphthalen-1-yl-piperazine hydrochloride

名称をさらに表示

1-(1-ナフチル)ピペラジン1-(ピペラジン-1-イル)ナフタレン1-(1-ナフタレニル)ピペラジンNPPITIMTEC-BB SBB0031611-(1-NAPHTHYL)PIPERAZINE1-(1-Naphthalenyl)piperazine1-(1-Naphthyl)piperazine*2HCl1-(Piperazin-1-yl)naphthalene1-(Naphthalen-1-yl)piperazineHCl

EU-0101181MLS000859936SCHEMBL466870orb1306295CHEMBL1256192DTXSID30908803ZYVYPNZFOCZLEM-UHFFFAOYSA-NTox21_501181

データベース識別子

CAS: 104113-71-5
PubChem CID: 2737391
DTXSID: DTXSID30908803
ChEMBL: CHEMBL1256192
EC Number: 673-494-4

物性

構造計算による物性

極性表面積: 15.3 Å²
水素結合供与体数: 2
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 223

実験および物理化学的性質

Solubility>37.3 [ug/mL] (The mean of the results at pH 7.4)

物理化学的性質

融点: 235 · 235-237 °C
貯蔵温度: -20 °C · Store at -20°C
溶解性: 2 O: · H2O: 可溶
外見: 針
色: 白い
InChI: InChI=1S/C14H16N2.ClH/c1-2-6-13-12(4-1)5-3-7-14(13)16-10-8-15-9-11-16;/h1-7,15H,8-11H2;1H
InChIKey: ZYVYPNZFOCZLEM-UHFFFAOYSA-N
SMILES: C1(C=CC=C2C=CC=CC=12)N1CCNCC1.Cl

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

wgk: 3

化学と産業

応用分野 · 2 件

説明1-(1-Naphthyl)piperazine (1-NP) is a ligand for serotonin (5-hydroxytryptamine, 5-HT) receptors. It acts as an antagonist for 5-HT at 5-HT1 and 5-HT2 in rat cortical membranes with IC50 values of 6 and 1 nM, respectively. 1-NP also blocks contraction in the rat fundus induced by either 5-HT or tryptamine (IC50 = 1 nM for both agonists). 1-NP mimics the 5-HT1 agonist 1-(m-trifluoromethylphenyl)piperazine (TFMPP, ) in decreasing 5-HT receptor turnover and increasing serum corticosterone, suggesting that, in the absence of 5-HT, 1-NP may act as an agonist of the 5-HT1 receptor. However, in squirrel monkeys, 1-NP acts as a non-selective 5-HT receptor antagonist in altering operant behavior. 1-NP also binds to the human 5-HT6 receptor with an affinity comparable to that of 5-HT (Kis = 120 and 100 nM, respectively).

使用1-(1-Naphthyl)piperazinemiddotHCl is a mixed agonist/antagonist of the serotonin receptors.