827-61-2

• 常用中文名：乙酰克里定
• 常用英文名：Aceclidine
• CAS号：827-61-2
• 分子式：C₉H₁₅NO₂
• 分子量：169.22100
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 由mAChR
• 发布时间：2018-03-26 08:00:00
• 更新时间：2026-07-05 23:41:25
• 乙酰胆碱是M3毒蕈碱乙酰胆碱受体的调节剂。Aceclidine是一种环麻痹剂、表面活性剂、张力调节剂和可选的增粘剂和抗氧化剂。Aceclidine有可能用于研究诸如眼屈光不正、口干症、干燥综合征、青光眼、结膜炎、泪腺疾病和内斜视等疾病(摘自专利US20150290125A1/US20110091459A1)[1][2]。

名称

• 中文名: 乙酰克里定
• 英文名: 1-azabicyclo[2.2.2]octan-3-yl acetate
• 中文别名: 1-氮杂双环环[2.2.2]-3-乙酸辛酯; 醋克立定; 3-奎宁环基乙酸酯; 1-氮杂双环[2.2.2]辛-3-基乙酸酯; (3R)-1-氮杂双环[2.2.2]辛-3-基乙酸酯
• 英文别名: Quinuclidin-3-yl acetate; 1-Azabicyclo[2.2.2]octan-3-ol, 3-acetate; NSC-657843; Acetic acid 1-azabicyclo[2.2.2]octane-3-yl ester; 3-Quinuclidinyl acetate; Acetic acid quinuclidin-3-yl ester; Quinuclidine-3-ol acetate; Glaucostat; quinuclidin-3-yl acetate; 3-Quinuclidinol acetate ester; aceclidine; (3R)-1-Azabicyclo[2.2.2]oct-3-yl acetate; NSC657843; 1-AZABICYCLO[2.2.2]OCTAN-3-OL, ACETATE (ESTER); 3-Acetoxyquinuclidine

物化性质

• 沸点: 221.5ºC at 760 mmHg
• 分子式: C₉H₁₅NO₂
• 分子量: 169.22100
• 闪点: 85ºC
• 精确质量: 169.11000
• PSA: 29.54000
• LogP: 0.58160
• 储存条件: 库房通风低温干燥

生物活性

• 描述: 乙酰胆碱是M3毒蕈碱乙酰胆碱受体的调节剂。Aceclidine是一种环麻痹剂、表面活性剂、张力调节剂和可选的增粘剂和抗氧化剂。Aceclidine有可能用于研究诸如眼屈光不正、口干症、干燥综合征、青光眼、结膜炎、泪腺疾病和内斜视等疾病(摘自专利US20150290125A1/US20110091459A1)[1][2]。
• 相关类别:
  信号通路 >> 神经信号通路 >> mAChR
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 由mAChR
  研究领域 >> 神经疾病
• 靶点:

  M3 muscarinic acetylcholine receptor[1]

• 参考文献:

  [1]. Gerald Horn, et al. Storage Stable Compositions and Methods for the Treatment of Refractive Errors of the Eye. Patent US20150290125A1.

  [2]. Thomas G. Gant, et al. Imidazole modulators of muscarinic acetylcholine receptor m3. Patent US20110091459A1.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : VD6195000 CHEMICAL NAME : 3-Quinuclidinol, acetate (ester) CAS REGISTRY NUMBER : 827-61-2 LAST UPDATED : 199603 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C9-H15-N-O2 MOLECULAR WEIGHT : 169.25 WISWESSER LINE NOTATION : T66 A B CNTJ AOV1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 225 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,320,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 45 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,320,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 165 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,320,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 78 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - analgesia Nutritional and Gross Metabolic - body temperature decrease REFERENCE : AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 189,295,1971 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 102 mg/kg TOXIC EFFECTS : Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 18,320,1968 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 36 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Gastrointestinal - changes in structure or function of salivary glands Kidney, Ureter, Bladder - urine volume increased REFERENCE : RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 35,55,1972

安全

• 危害码 (欧洲): Xi
• 海关编码: 2933990090

合成路线

108-24-7 1619-34-7 ~90% 827-61-2

文献：Langlois; Meyer; Soulier Synthetic Communications, 1992 , vol. 22, # 13 p. 1895 - 1911

1619-34-7 ~60% 827-61-2

文献：Bracco International B.V. Patent: US5387409 A1, 1995 ;

1193-65-3 ~% 827-61-2

文献：Helvetica Chimica Acta, , vol. 40, p. 2170,2176

76656-18-3 ~% 827-61-2

文献：Pharmaceutical Chemistry Journal, , vol. 18, # 3 p. 161 - 164 Khimiko-Farmatsevticheskii Zhurnal, , vol. 18, # 3 p. 297 - 300

上下游产品

上游产品  4
108-24-7 1619-34-7 1193-65-3 76656-18-3
下游产品  2
25333-42-0 41967-35-5

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%