92-12-6

• 常用中文名：苯托沙敏
• 常用英文名：phenyltoloxamine
• CAS号：92-12-6
• 分子式：C₁₇H₂₁NO
• 分子量：255.35500
• 相关类别： 原料药 抗变态反应药 抗组胺药
• 发布时间：2018-08-08 12:14:58
• 更新时间：2024-01-09 11:43:45
• 苯甲苯胺(Bistrimin)是一种具有镇静和镇痛作用的抗组胺药。苯基甲苯胺还具有强大的Sigma-1受体结合亲和力(Ki:160nM)[1][2][3]。

名称

• 中文名: 苯托沙敏
• 英文名: 2-(2-benzylphenoxy)-N,N-dimethylethanamine
• 英文别名: Feniltolossamina [DCIT]; Phenyltoloxamine; Phenoxadrine; Antin; [2-(2-benzyl-phenoxy)-ethyl]-dimethyl-amine; Histionex; 2-Dimethylamino-1-(2-benzyl-phenoxy)-aethan; Bistrimin; Phenoxadrin; UNII-K65LB6598J; Phenyl-toloxamin; Phentoloxamine; Bristamin; [2-(2-Benzyl-phenoxy)-aethyl]-dimethyl-amin

物化性质

• 密度: 1.022g/cm3
• 沸点: 359.2ºC at 760 mmHg
• 分子式: C₁₇H₂₁NO
• 分子量: 255.35500
• 闪点: 106ºC
• 精确质量: 255.16200
• PSA: 12.47000
• LogP: 3.21780
• 折射率: 1.552

生物活性

• 描述: 苯甲苯胺(Bistrimin)是一种具有镇静和镇痛作用的抗组胺药。苯基甲苯胺还具有强大的Sigma-1受体结合亲和力(Ki:160nM)[1][2][3]。
• 相关类别:
  信号通路 >> 免疫及炎症 >> 组胺受体
  信号通路 >> 代谢酶/蛋白酶 >> 细胞色素P450
  研究领域 >> 炎症/免疫
  研究领域 >> 神经疾病
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> Sigma Receptor
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 组胺受体
• 靶点:

  Sigma 1 Receptor:160 nM (Ki)

• 体外研究: 苯基甲苯胺(10-50μM,24小时)在EVSA-T细胞中显示出细胞毒性[2]。苯基甲苯胺表现出强大的Sigma 1受体(S1R)结合亲和力,Ki值为160nM[3]。苯甲苯胺(100μM)抑制人肝巨细胞CYP2D6酶99.0%[4]。

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : KH2376000 CHEMICAL NAME : Ethanamine, N,N-dimethyl-2-(2-(phenylmethyl)phenoxy)- CAS REGISTRY NUMBER : 92-12-6 BEILSTEIN REFERENCE NO. : 1986598 LAST UPDATED : 199701 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C17-H21-N-O MOLECULAR WEIGHT : 255.39 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 1400 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Oral SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 1127 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 246 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 55 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : PSCBAY Psychopharmacology Service Center, Bulletin. (Bethesda, MD) V.1-3, 1961-65. For publisher information, see PSYBB9. Volume(issue)/page/year: 2,17,1963 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 83250 No. of Facilities: 19 (estimated) No. of Industries: 1 No. of Occupations: 9 No. of Employees: 934 (estimated) No. of Female Employees: 506 (estimated)

合成路线

28994-41-4 ~% 92-12-6

文献：Journal of Medicinal Chemistry, , vol. 47, # 17 p. 4155 - 4158

165683-42-1 124-40-3 ~% 92-12-6

文献：Journal of Medicinal Chemistry, , vol. 24, # 2 p. 145 - 148

7563-58-8 107-99-3 ~% 92-12-6

文献：Journal of the American Chemical Society, , vol. 71, p. 60,62

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