469-21-6

• 常用中文名：多西拉敏
• 常用英文名：doxylamine
• CAS号：469-21-6
• 分子式：C₁₇H₂₂N₂O
• 分子量：270.37
• 相关类别： 原料药 抗变态反应药 抗组胺药
• 发布时间：2018-05-31 08:00:00
• 更新时间：2024-01-01 18:46:16
• Doxylamine是第一代抗组胺药,是一种组胺(H1)受体拮抗剂。多西拉明也是一种局部镇痛剂和有效的催眠剂[1][2][3]。

名称

• 中文名: 多西拉敏
• 英文名: doxylamine
• 中文别名: 抗敏安
• 英文别名: Dossilamina; N,N-Dimethyl-2-[(1R)-1-phenyl-1-(2-pyridinyl)ethoxy]ethanamine; Doxylaminum; doxilamina; Ethanamine, N,N-dimethyl-2-[(1R)-1-phenyl-1-(2-pyridinyl)ethoxy]-; N,N-dimethyl-2-(1-phenyl-1-pyridin-2-ylethoxy)ethanamine; Doxilminio

物化性质

• 密度: 1.043 g/cm3
• 沸点: 364.9ºC at 760 mmHg
• 熔点: 25°C
• 分子式: C₁₇H₂₂N₂O
• 分子量: 270.37
• 闪点: 174.5ºC
• 精确质量: 270.17300
• PSA: 25.36000
• LogP: 2.92330
• 折射率: 1.5486 (estimate)
• 储存条件: -20°C
• 计算化学:

  1.疏水参数计算参考值（XlogP）:2.5

  2.氢键供体数量:0

  3.氢键受体数量:3

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积:25.4

  7.重原子数量:20

  8.表面电荷:0

  9.复杂度:276

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:1

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

生物活性

• 描述: Doxylamine是第一代抗组胺药,是一种组胺(H1)受体拮抗剂。多西拉明也是一种局部镇痛剂和有效的催眠剂[1][2][3]。
• 相关类别:
  信号通路 >> 免疫及炎症 >> 组胺受体
  研究领域 >> 炎症/免疫
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 组胺受体
• 靶点:

  H1 Receptor

• 参考文献:

  [1]. Sjöqvist F, Lasagna L. The hypnotic efficacy of doxylamine. Clin Pharmacol Ther. 1967;8(1):48-54.

  [2]. Hung CH, et al. Subcutaneous infiltration of doxylamine on cutaneous analgesia in rats. Pharmacol Rep. 2018;70(3):565-569.

  [3]. Jackson CD, Blackwell BN. Subchronic studies of doxylamine in B6C3F1 mice. Fundam Appl Toxicol. 1988;10(2):254-261.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : US9250000 CHEMICAL NAME : Pyridine, 2-(alpha-(2-(dimethylamino)ethoxy)-alpha-methylbenzyl )- CAS REGISTRY NUMBER : 469-21-6 BEILSTEIN REFERENCE NO. : 0230379 LAST UPDATED : 199612 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C17-H22-N2-O MOLECULAR WEIGHT : 270.41 WISWESSER LINE NOTATION : T6NJ BX1&R&O2N1&1 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 : 440 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 470 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Subcutaneous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 460 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 62 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold REFERENCE : DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 250 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy) REFERENCE : DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 49 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - rigidity (including catalepsy) REFERENCE : DPIRDU Dangerous Properties of Industrial Materials Report. (Van Nostrand Reinhold, 115 Fifth Ave., New York, NY 10003) V.1- 1981- Volume(issue)/page/year: 2(5),17,1982

合成路线

107-99-3 ~% 469-21-6

文献：Sperber et al. Journal of the American Chemical Society, 1949 , vol. 71, p. 887,889