基本情報
- CAS
335161-03-0- 標準SMILES
O=C(c1ccccc1I)c1cn(CCCCCF)c2ccccc12- InChIKey
LFFIIZFINPPEMC-UHFFFAOYSA-N- 分子式
- C20H19FINO
- 平均分子量
- 435.3 g/mol
- 単同位体質量
- 435.04954
概要
1-(5-fluoropentyl)-3-(2-iodobenzoyl)indole is a member of the class of indoles that is 1H-indole which is substituted at position 1 by a 5-fluoropentyl group and a position 3 by an o-fluorobenzoyl group. It is a selective agonist for the CB1 cannabinoid receptor; Ki values for the CB1 and CB2 receptors are 0.08 and 1.44 nM, respectively. It has a role as a cannabinoid receptor agonist. It is a member of indoles, an organoiodine compound, an organofluorine compound, a synthetic cannabinoid and an aromatic ketone.
名称と識別子
- 優先名称
- AM-694
- IUPAC
- [1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanone
- 現地名
- 1-(5-フルオロペンチル)-3-(2-ヨードベンゾイル)-1H-インドール
- 英語名
- AM-694
- 分子式
- C20H19FINO
- 分子量
- 435.27
名称と別名
AM-6941-(5-fluoropentyl)-3-(2-iodobenzoyl)indoleAM694AM 6946RK7KN7L1ODEA No. 7694J2.929.919FCHEBI:1380171-[(5-Fluoropentyl)-1H-indol-3-yl]-(2-iodophenyl)methanone1-((5-FLUOROPENTYL)-1H-INDOL-3-YL)-(2-IODOPHENYL)METHANONEMETHANONE, (1-(5-FLUOROPENTYL)-1H-INDOL-3-YL)(2-IODOPHENYL)-AM694 cpd
名称をさらに表示
1-(5-フルオロペンチル)-3-(2-ヨードベンゾイル)-1H-インドール3-(2-ヨードベンゾイル)-1-(5-フルオロペンチル)-1H-インドールAM694 (exempt preparation)AM-694 (1-(5-Fluoropentyl)-3-(2-iodobenzoyl)-indole)1-(5-fluoropentyl)-3-[(2-iodophenyl)carbonyl]-1H-indoleMethanone, [1-(5-fluoropentyl)-1H-indol-3-yl](2-iodophenyl)-AM-694 (1-(5-Fluoropentyl)-3-(2-iodobenzoyl)indole) 1.0 mg/ml in AcetonitrileAM-694 (1-(5-Fluoropentyl)-3-(2-iodobenzoyl)indole) 0.1 mg/ml in Acetonitrile
RefChem:556857335161-03-0UNII-6RK7KN7L1O[1-(5-Fluoropentyl)-1H-indol-3-yl](2-iodophenyl)methanone[1-(5-fluoropentyl)indol-3-yl]-(2-iodophenyl)methanoneSCHEMBL16755254SCHEMBL29385295SCHEMBL29567887
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 22 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
- 7
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 418
実験および物理化学的性質
Drugs
DEA NFLIS-Drug Category -> Synthetic Cannabinoids
DEA Schedule I Controlled Substance -> Cannabimimetic agents
Synthetic Cannabinoids
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
Collision Cross Section181.96 Ų [M+H]+
物理化学的性質
- 沸点
- 546.7 · 546.7±40.0 °C(Predicted)
- 比重(密度)
- 1.46 · 1.46
- 溶解性
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 14 mg/ml; Ethanol: 10 mg/ml
- 外見
- A crystalline solid
化学的性質
化学的特性Off-White Solid
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, 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
Regulatory InformationDEA schedule I controlled substance
安全データ
- DEA Controlled Substances
- CSCN: 7694CSA SCH: Schedule INARC: No
化学と産業
薬理情報
MeSH Pharmacological ClassificationCompounds that interact with and stimulate the activity of CANNABINOID RECEPTORS.
応用分野
説明AM694 is a potent synthetic cannabinoid (CB) with Ki values of 0.08 and 1.44 nM for the CB1 and CB2 receptors, respectively. The physiological actions and metabolism of AM694 have not been characterized.
使用A synthetic cannabimimetic indole derivative which acts as a potent and selective agonist for the cannabinoid receptor CB1.
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