113-59-7

• 常用中文名：氯普噻吨
• 常用英文名：Chlorprothixene
• CAS号：113-59-7
• 分子式：C₁₈H₁₈ClNS
• 分子量：315.860
• 相关类别： 原料药 神经系统用药 抗精神病药
• 发布时间：2018-10-01 14:18:17
• 更新时间：2024-01-02 17:50:18
• Chlorprothixene对多巴胺和组胺受体有高度的亲和力,对D1,D2,D3,D5,H1,5-HT2,5-HT6和5-HT7的Ki分别为18 nM,2.96 nM,4.56 nM,9 nM,3.75 nM,9.4 nM,3 nM和5.6 nM。

名称

• 中文名: 氯普噻吨
• 英文名: chlorprothixene
• 中文别名: (Z)-N,N-二甲基-3-(2-氯-9H-亚噻吨基)-1-丙胺; 反式-2-氯-9-(3-二甲胺基亚丙基)硫杂蒽
• 英文别名: 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (3Z)-; Ro 4-0403; Tarasan; (Z)-chlorprothixene; Truxaletten; Chlorprothixene; (3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine; chloroprothixene; CPX; N 714C; (Z)-2-Chloro-9-(ω-dimethylaminopropylidene)thioxanthene; (Z)-2-Chloro-9-(3'-dimethylaminopropylidene)thioxanthene; Paxyl; Truxil; (Z)-2-Chloro-N,N-dimethylthioxanthene-D9,g-propylamine; (Z)-a-2-Chloro-10-(3-dimethylaminopropylidene)thiaxanthene; Taractan; EINECS 204-032-8; Truxal; 1-Propanamine, 3- (2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-; 1-Propanamine, 3-(2-chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, (Z)-; (3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine; mk184; n714

物化性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 435.0±45.0 °C at 760 mmHg
• 熔点: 97-98°
• 分子式: C₁₈H₁₈ClNS
• 分子量: 315.860
• 闪点: 216.9±28.7 °C
• 精确质量: 315.084839
• PSA: 28.54000
• LogP: 6.05
• 蒸汽压: 0.0±1.0 mmHg at 25°C
• 折射率: 1.683
• 储存条件: -20°C
• 分子结构:

  1、 摩尔折射率：95.35

  2、 摩尔体积（cm³/mol）：251.4

  3、 等张比容（90.2K）：684.5

  4、 表面张力（dyne/cm）：54.8

  5、 极化率（10-24cm3）：37.80

• 更多:

  1.性状：淡黄色结晶性粉末。

  2. 熔点（ºC）：97-98

  3.溶解性：不溶于乙醇、乙醚、氯仿。

生物活性

• 描述: Chlorprothixene对多巴胺和组胺受体有高度的亲和力,对D1,D2,D3,D5,H1,5-HT2,5-HT6和5-HT7的Ki分别为18 nM,2.96 nM,4.56 nM,9 nM,3.75 nM,9.4 nM,3 nM和5.6 nM。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 多巴胺受体
  信号通路 >> 神经信号通路 >> 多巴胺受体
  研究领域 >> 神经疾病
• 参考文献:

  [1]. von Coburg, Y., et al., Potential utility of histamine H3 receptor antagonist pharmacophore in antipsychotics. Bioorg Med Chem Lett, 2009. 19(2): p. 538-42.

  [2]. Roth, B.L., et al., Binding of typical and atypical antipsychotic agents to 5-hydroxytryptamine-6 and 5-hydroxytryptamine-7 receptors. J Pharmacol Exp Ther, 1994. 268(3): p. 1403-10.

  [3]. Becker, K.A., et al., Acid sphingomyelinase inhibitors normalize pulmonary ceramide and inflammation in cystic fibrosis. Am J Respir Cell Mol Biol, 2010. 42(6): p. 716-24.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : XO1050000 CHEMICAL NAME : Thioxanthene-delta(sup 9),gamma-propylamine, 2-chloro-N,N-dimethyl-, (Z)- CAS REGISTRY NUMBER : 113-59-7 LAST UPDATED : 199709 DATA ITEMS CITED : 9 MOLECULAR FORMULA : C18-H18-Cl-N-S MOLECULAR WEIGHT : 315.88 WISWESSER LINE NOTATION : T C666 BS IYJ FG IU3N1&1 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Human - man DOSE/DURATION : 7 mg/kg TOXIC EFFECTS : Behavioral - general anesthetic Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness REFERENCE : ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 14,596,1964 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 200 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,252,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 50100 ug/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,5944,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 56200 ug/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 47,5944,1987 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 36 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: -,373,1990 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 182 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : 29ZVAB "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969 Volume(issue)/page/year: -,33,1969 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Oral DOSE : 360 mg/kg SEX/DURATION : male 15 week(s) pre-mating TOXIC EFFECTS : Reproductive - Paternal Effects - impotence REFERENCE : AJPSAO American Journal of Psychiatry. (American Psychiatric Assoc., Circulation Dept., 1400 K St., NW, Washington, DC 20005) V.78- 1921- Volume(issue)/page/year: 120,1004,1964 *** REVIEWS *** TOXICOLOGY REVIEW IDPYAK Industrial Pharmacology. (Mount Kisco, NY) V.1-3, 1974-79. Discontinued. Volume(issue)/page/year: 1,203,1974

安全

• 危害码 (欧洲): Xi
• 海关编码: 2932999099

制备

邻氨基苯甲酸经重氮化、缩合、环合制得母核2-氯硫杂蒽酮。然后，母核与1-氯-3-二甲氨基丙烷加成得到2-氯-9-（3-二甲氨基丙基）-9-羟基硫杂蒽，经消除反应获得α,β-泰尔登，分离出α-泰尔登，将回收的β-泰尔登转化成α-泰尔登，合并精制得成品。

海关

海关编码	2932999099
中文概述	2932999099. 其他仅含氧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
Summary	2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%