4-(1-bromo-2-methylpropyl)-benzoic acid | 1269504-41-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(1-bromo-2-methylpropyl)-benzoic acid
• 英文别名: 4-(1-Bromo-2-methylpropyl)benzoic acid；4-(1-bromo-2-methylpropyl)benzoic acid
• CAS: 1269504-41-7
• 化学式: C₁₁H₁₃BrO₂
• 分子量: 257.127
• InChiKey: OOPJCYJQSDULQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(1-bromo-2-methylpropyl)-benzoic acid 在 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 水 、 碳酸氢钠 、 1-羟基苯并三唑 、 caesium carbonate 、 1,2-二氯乙烷 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 正庚烷 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  A novel series of indazole-/indole-based glucagon receptor antagonists

  摘要：

  A novel, potent series of glucagon receptor antagonists (GRAs) was discovered. These indazole-and indole-based compounds were designed on an earlier pyrazole-based GRA lead MK-0893. Structure-activity relationship (SAR) studies were focused on the C3 and C6 positions of the indazole core, as well as the benzylic position on the N-1 of indazole. Multiple potent GRAs were identified with excellent in vitro profiles and good pharmacokinetics in rat. Among them, GRA 16d was found to be orally active in blunting glucagon induced glucose excursion in an acute glucagon challenge model in glucagon receptor humanized (hGCGR) mice at 1, 3 and 10 mg/kg (mpk), and significantly lowered acute glucose levels in hGCGR ob/ob mice at 3 mpk dose. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.08.015
• 作为产物：
  描述：

  4-(1-bromo-2-methylpropyl)benzaldehyde 在 Jones reagent 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以99%的产率得到4-(1-bromo-2-methylpropyl)-benzoic acid
  参考文献：
  名称：

  Site-specific immobilization of proteins at zeolite L crystals by nitroxide exchange reactions

  摘要：

  本研究利用温和的硝基自由基交换反应，在沸石 L 晶体表面对染料和不同蛋白质识别实体进行了位点选择性固定。将这些晶体暴露于蛋白质水溶液中可实现蛋白质在晶体上的位点选择性固定。

  DOI：

  10.1039/c0cc05474g

文献信息

• A novel series of indazole-/indole-based glucagon receptor antagonists
  作者：Songnian Lin、Fengqi Zhang、Guoqiang Jiang、Sajjad A. Qureshi、Xiaodong Yang、Gary G. Chicchi、Laurie Tota、Alka Bansal、Edward Brady、Maria Trujillo、Gino Salituro、Corey Miller、James R. Tata、Bei B. Zhang、Emma R. Parmee

  DOI：10.1016/j.bmcl.2015.08.015

  日期：2015.10

  A novel, potent series of glucagon receptor antagonists (GRAs) was discovered. These indazole-and indole-based compounds were designed on an earlier pyrazole-based GRA lead MK-0893. Structure-activity relationship (SAR) studies were focused on the C3 and C6 positions of the indazole core, as well as the benzylic position on the N-1 of indazole. Multiple potent GRAs were identified with excellent in vitro profiles and good pharmacokinetics in rat. Among them, GRA 16d was found to be orally active in blunting glucagon induced glucose excursion in an acute glucagon challenge model in glucagon receptor humanized (hGCGR) mice at 1, 3 and 10 mg/kg (mpk), and significantly lowered acute glucose levels in hGCGR ob/ob mice at 3 mpk dose. (C) 2015 Elsevier Ltd. All rights reserved.
• Site-specific immobilization of proteins at zeolite L crystals by nitroxide exchange reactions
  作者：Maike Becker、Luisa De Cola、Armido Studer

  DOI：10.1039/c0cc05474g

  日期：——

  Site-selective immobilization of dyes and different protein recognizing entities at the surface of zeolite L crystals using mild radical nitroxide exchange reactions is reported. Exposure of these crystals to aqueous protein solutions leads to site-selective immobilization of proteins onto the crystals.

  本研究利用温和的硝基自由基交换反应，在沸石 L 晶体表面对染料和不同蛋白质识别实体进行了位点选择性固定。将这些晶体暴露于蛋白质水溶液中可实现蛋白质在晶体上的位点选择性固定。