基本情報
- CAS
2235-90-7- 標準SMILES
CCC(N)Cc1c[nH]c2ccccc12- InChIKey
ZXUMUPVQYAFTLF-UHFFFAOYSA-N- 分子式
- C12H16N2
- 平均分子量
- 188.27 g/mol
- 単同位体質量
- 188.13134852
名称と識別子
- 優先名称
- Alpha-Ethyltryptamine
- IUPAC
- 1-(1H-indol-3-yl)butan-2-amine
- 現地名
- 3-(2-アミノブチル)-1H-インドール
- 英語名
- α-Ethyltryptamine
- 分子式
- C12H16N2
- 分子量
- 188.27
名称と別名
ETRYPTAMINEalpha-Ethyltryptamine3-(2-Aminobutyl)indole2235-90-73-IndolylbutylamineEtriptaminaMonaseRo 3-1932Etryptaminum1H-Indole-3-ethanamine, alpha-ethyl-alphaETDTXSID1046764
名称をさらに表示
α-エチル-1H-インドール-3-エタンアミンα-エチルトリプタミン3-(2-アミノブチル)-1H-インドールα-エチル-1H-インドール-3-エタン-1-アミンエトリプタミン1-(1H-インドール-3-イル)ブタン-2-アミンAURORA KA-7710Ethyltryptamineα-EthyltryptamineA-ETHYLTRYPTAMINE HCL
NSC-88061GR181O3R32DTXCID9026764NSC880612-ethyltryptamine3-(2-aminobutylindole)RefChem:1393041-(1H-indol-3-yl)butan-2-amine
データベース識別子
- CAS
2235-90-7- PubChem CID
- 8367
- DTXSID
DTXSID1046764- ChEMBL
CHEMBL1619758- ChEBI
CHEBI:134838- UNII
- GR181O3R32
- Nikkaji
- J7.373C
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 41.8 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 1
- 回転可能結合数
- 3
- 重原子数
- 14
- 形式電荷
- 0
- 複雑度
- 181
実験および物理化学的性質
LogS-2.57
Solubility510
Melting Point221
Kovats Retention Index1848
物理化学的性質
- 融点
- 97 · 97-99°
- 沸点
- 313.29 °C · 313.29°C (rough estimate)
- 比重(密度)
- 0.952 · 0.9520 (rough estimate)
- 屈折率
- 1.56 · 1.5600 (estimate)
- 溶解性
- 11 mg/ml; · DMF: 11 mg/ml; DMSO: 5 mg/ml; Ethanol: 20 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
- 外見
- A crystalline solid
- 酸解離定数(Pka)
- 17.22 · 17.22±0.30(Predicted)
- 水溶解度
- 0.51 g/L · 0.51g/L(室温)
安全と法規制
危険有害性情報
Regulatory InformationDEA schedule I controlled substance
法規制情報
Regulatory InformationDEA schedule I controlled substance
化学と産業
薬理情報
PharmacodynamicsαET is a stimulant and psychedelic with MDMA like physiological effects. Like MDMA, increases in locomotor activity and mood elevation can be seen post administration. [2]
Mechanism of Action
The mechanism of action responsible for its antidepressant activity was believed to lie in its ability to inhibit monoamine oxidase, while its stimulant activity on the central nervous system appeared to result from its structural similarity to indole-based psychedelics. [5] Research discovered αET to be both a monoamine oxidase inhibitor and a potent monoamine releasing agent capable of serotonergic neurotoxicity. [3] The ability to release serotonin was linked to αET's MDMA like properties. [2] αET has been shown to release serotonin pre-synaptically, as well as lesser amounts of norepinephrine and dopamine.
応用分野
使用α-Ethyltryptamine (E931900) is used as a stimulant and entactogen that have actions at multiple central nervous system (CNS) receptor sites.
上流・下流製品情報
上流原料
関連反応
4 件
化合物ノート
読み込み中…