71119-11-4

• 常用中文名：布新洛尔
• 常用英文名：Bucindolol
• CAS号：71119-11-4
• 分子式：C₂₂H₂₅N₃O₂
• 分子量：363.453
• 相关类别： 信号通路 G 蛋白偶联受体/G 蛋白 肾上腺素能受体
• 发布时间：2018-02-12 08:00:00
• 更新时间：2024-01-04 17:11:20
• Bucindolol 是一种 β1 肾上腺素能受体 (β1-adrenergic receptor) 阻滞剂,具有内源性拟交感活性,用于心力衰竭疾病研究。

名称

• 中文名: 布新洛尔
• 英文名: 2-[2-hydroxy-3-[[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino]propoxy]benzonitrile
• 中文别名: 2-[2-羟基-3-[2-(吲哚-3-基)-1,1-二甲基乙基氨基]丙氧基]苯甲腈
• 英文别名: Benzonitrile, 2-[2-hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethylethyl]amino]propoxy]-; 2-(2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propoxy)benzonitrile; Bucindolol; 2-(2-Hydroxy-3-{[1-(1H-indol-3-yl)-2-methyl-2-propanyl]amino}propoxy)benzonitrile; 2-[2-Hydroxy-3-[[2-(1H-indol-3-yl)-1,1-dimethylethyl]amino]propoxy]benzonitrile; o-(2-Hydroxy-3-((2-indol-3-yl-1,1-dimethylethyl)amino)propoxy)benzonitrile

物化性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 605.3±55.0 °C at 760 mmHg
• 分子式: C₂₂H₂₅N₃O₂
• 分子量: 363.453
• 闪点: 319.9±31.5 °C
• 精确质量: 363.194672
• PSA: 81.07000
• LogP: 3.19
• 蒸汽压: 0.0±1.8 mmHg at 25°C
• 折射率: 1.632

生物活性

• 描述: Bucindolol 是一种 β1 肾上腺素能受体 (β1-adrenergic receptor) 阻滞剂,具有内源性拟交感活性,用于心力衰竭疾病研究。
• 相关类别:
  研究领域 >> 心血管疾病
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 肾上腺素能受体
• 参考文献:

  [1]. Liggett SB, et al. A polymorphism within a conserved beta(1)-adrenergic receptor motif alters cardiac function and beta-blocker response in human heart failure. Proc Natl Acad Sci U S A. 2006 Jul 25;103(30):11288-93.

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DI4637550 CHEMICAL NAME : Benzonitrile, 2-(2-hydroxy-3-((2-(1H-indol-3-yl)-1,1-dimethylethyl) amino)propoxy)- CAS REGISTRY NUMBER : 71119-11-4 LAST UPDATED : 199712 DATA ITEMS CITED : 2 MOLECULAR FORMULA : C22-H25-N3-O2 MOLECULAR WEIGHT : 363.50 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 20200 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0065295 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 9600 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : EPXXDW European Patent Application. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #0065295

合成路线

611-20-1 ~% 71119-11-4

文献：Kreighbaum; Matier; Dennis; Minielli; Deitchman; Perhach Jr.; Comer Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 285 - 289

87-52-5 ~% 71119-11-4

文献：Kreighbaum; Matier; Dennis; Minielli; Deitchman; Perhach Jr.; Comer Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 285 - 289

835-40-5 ~% 71119-11-4

文献：Kreighbaum; Matier; Dennis; Minielli; Deitchman; Perhach Jr.; Comer Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 285 - 289

42864-99-3 ~% 71119-11-4

文献：Kreighbaum; Matier; Dennis; Minielli; Deitchman; Perhach Jr.; Comer Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 285 - 289

304-53-0 38465-16-6 ~% 71119-11-4

文献：Kreighbaum; Matier; Dennis; Minielli; Deitchman; Perhach Jr.; Comer Journal of Medicinal Chemistry, 1980 , vol. 23, # 3 p. 285 - 289

上下游产品

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611-20-1 87-52-5 835-40-5 42864-99-3
304-53-0 38465-16-6
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