基本情報
- CAS
31059-54-8- 標準SMILES
C[N+](C)(C)CCC(=O)c1ccc2ccccc2c1.[I-]- InChIKey
LIFHUGCXEAQKRZ-UHFFFAOYSA-M- 分子式
- C16H20INO
- 平均分子量
- 369.24 g/mol
- 単同位体質量
- 369.05896226
概要
structure given in first source; RN given refers to iodide
名称と識別子
- 優先名称
- 2-Naphthoylethyltrimethylammonium
- IUPAC
- trimethyl-(3-naphthalen-2-yl-3-oxopropyl)azanium iodide
- 現地名
- トリメチル[3-(ナフタレン-2-イル)-3-オキソプロピル]アザニウム
- 英語名
- 2-naphthoylethyltrimethylammonium
- 分子式
- C16H20NO.I
- 分子量
- 369.24
名称と別名
31059-54-82-NaphthoylethyltrimethylammoniumRefChem:88641beta-NETAtrimethyl-(3-naphthalen-2-yl-3-oxopropyl)azanium;iodide-NETAbeta-NETA, 98%2-(beta-Naphthoyl)ethyltrimethylammonium iodideorb1308670SCHEMBL11253161DTXSID60953164AKOS040741094
名称をさらに表示
トリメチル[3-(ナフタレン-1-イル)-3-オキソプロピル]アザニウムトリメチル[3-(ナフタレン-2-イル)-3-オキソプロピル]アザニウムα-NETAβ-NETAβ-NETA, 10 mM in DMSOalpha-NETA, Fluorescent ChAT inhibitor2-Dimethylaminoethyl 2-naphthyl ketone methiodidetrimethyl-(3-naphthalen-2-yl-3-oxopropyl)azanium:iodidehistamine,Cholinesterase (ChE),Apoptosis,ChE,β-NETA,KCl,β NETA,ChA,choline acetyltransferase,βNETA,Inhibitor,cholinesterase,inhibit
MS-25926HY-124957CS-0089727T141942-Naphthalenepropanaminium, N,N,N-trimethyl-gamma-oxo-, iodide2-Naphthalenepropanaminium, N,N,N-trimethyl-|A-oxo-, iodide (1:1)N,N,N-trimethyl-3-(naphthalen-2-yl)-3-oxopropan-1-aminium iodide2-Naphthalenepropanaminium, N,N,N-trimethyl-gamma-oxo-, iodide (1:1)
物性
構造計算による物性
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 19
- 形式電荷
- 0
- 複雑度
- 292
物理化学的性質
- 貯蔵温度
- -20 °C, · Store at -20°C, protect from light, stored under nitrogen
- 溶解性
- 3 mg/ml; · DMSO: 3mg/ml; Methanol: Soluble
- 外見
- A solid
- 色
- White to off-white
化学と産業
応用分野
説明Choline acetyltransferase (ChAT) mediates the synthesis of the neurotransmitter acetylcholine from acetyl-CoA and choline. In addition to its critical role in neurosignaling, deficiencies in ChAT are linked to congenital myasthenic syndromes, Alzheimer’s disease, and multiple sclerosis. α-NETA is a stable, non-competitive, and slowly reversible inhibitor of ChAT (IC50 = 9 μM). This naturally fluorescent compound is a poor inhibitor of cholinesterases and carnitine acetyltransferase. α-NETA is commonly used in cells in culture.
使用Choline acetyltransferase (ChAT) mediates the synthesis of the neurotransmitter acetylcholine from acetyl-CoA and choline. In addition to its critical role in neurosignaling, deficiencies in ChAT are linked to congenital myasthenic syndromes, Alzheimer’s disease, and multiple sclerosis. α-NETA is a stable, non-competitive, and slowly reversible inhibitor of ChAT (IC50 = 9 μM). This naturally fluorescent compound is a poor inhibitor of cholinesterases and carnitine acetyltransferase. α-NETA is commonly used in cells in culture.[Cayman Chemical]
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