1-(6-bromo-1H-benzimidazol-1-yl)-2-methylpropan-2-ol | 1374145-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1-(6-bromo-1H-benzimidazol-1-yl)-2-methylpropan-2-ol
• 英文别名: 1-(6-Bromobenzimidazol-1-yl)-2-methylpropan-2-ol
• CAS: 1374145-20-6
• 化学式: C₁₁H₁₃BrN₂O
• 分子量: 269.141
• InChiKey: AVTCRIAODMSJSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(6-bromo-1H-benzimidazol-1-yl)-2-methylpropan-2-ol 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 四(三苯基膦)钯 、 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 3.0h， 生成 2-methyl-1-{6-[5-(trifluoromethyl)pyridin-2-yl]-1H-benzimidazol-1-yl}propan-2-ol
  参考文献：
  名称：

  NOVEL BENZIMIDAZOLE COMPOUND AND MEDICAL USE THEREOF

  摘要：

  本发明提供了一种治疗涉及Nav 1.7的疾病的药物，如神经病性疼痛、伤害性疼痛、炎症性疼痛、小纤维神经病、红色痛症、阵发性极端疼痛障碍、排尿困难和多发性硬化症的药物，其包括化合物的结构式(I)或其药用盐，其中R1a、R1b、R1c和R1d为氢、卤素、氰基、C1-4烷基、C1-4甲氧基等，至少其中一个为C6-10芳基、C6-10芳氧基等，R2和R3为氢、C1-6烷基、C3-10环烷基等，R4为氢、C1-6烷基、C3-7环烷基等，m为1、2或3，L为CR7R8，R7和R8为氢、羟基、C1-4烷基、C1-4甲氧基等。

  公开号：

  US20170107211A1

文献信息

• Pyridine Derivative and Medicinal Agent
  申请人：Fujihara Hidetaka

  公开号：US20130225548A1

  公开（公告）日：2013-08-29

  A main object of the present invention is to provide a novel pyridine derivative represented by the following general formula [1] or a pharmaceutically acceptable salt thereof. In formula [1], R represents an aryl group or a heteroaryl group, which may be substituted by an optionally substituted alkyl group, a hydroxy group, a halogen atom or a group represented by general formula [2]. In formula [2], -L 1 -L 2 -L 3 -R A [2] L 1 and L 3 independently represent a single bond, an alkylene group or a cycloalkylene group; L 2 represents a single bond, O, or NR B ; R B represents H or an optionally substituted alkyl group; and R A represents B, an amino group, a cyano group, a hydroxy group, an alkoxy group, an aryl group, a monoalkylamino group, a dialkylamino group, a carbamoyl group, an alkyloxycarbonyl group, a monoalkylaminocarbonyl group, a dialkylaminocarbonyl group, an alkylcarbonylamino group, and a saturated heterocyclic group, among other groups.

  本发明的一个主要对象是提供一种由下述通用式[1]表示的新型吡啶衍生物或其药学上可接受的盐。在式[1]中，R代表芳基或杂芳基，可以被可选择地取代的烷基、羟基、卤原子或通式[2]所代表的基团所取代。在式[2]中，-L1-L2-L3-RA[2]L1和L3独立地代表单键、烷基或环烷基；L2代表单键、O或NRB；RB代表氢或可选择地取代的烷基；RA代表B、氨基、氰基、羟基、烷氧基、芳基、单烷基氨基、双烷基氨基、氨基甲酰基、烷氧羰基、单烷基氨基羰基、双烷基氨基羰基、烷基羰基氨基和饱和杂环基等基团，以及其他基团。
• PYRIDINE DERIVATIVE AND MEDICINAL AGENT
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP2634176A1

  公开（公告）日：2013-09-04

  [Problem to be Solved by the Invention] A main object of the present invention is to provide a novel pyridine derivative or a pharmaceutically acceptable salt thereof. [Means of Solving the Problems] A pyridine derivative or a pharmaceutically acceptable salt represented by the following genaral formula [1] or a pharmaceutically acceptable salt thereof. In formula [1], R represents an aryl group or a heteroaryl group, wherein each of the aryl group and the heteroaryl group may be substituted by one or two substituents independently selected from the group consisting of an optionally substituted alkyl group, a hydroxy group, a halogen atom and a group represented by general formula [2]. In formula [2],         -L1-L2-L3-RA L1 and L3 independently represent a single bond, an alkylene group or a cycloalkylene group; L2 represents a single bond, O, or NRB; RB represents H or an optionally substituted alkyl group; RA represents H, an amino group, a cyano group, a hydroxy group, an alkoxy group, an aryl group, a monoalkylamino group, a dialkylamino group, a carbamoyl group, an alkyloxycarbonyl group, a monoalkylaminocarbonyl group, a dialkylaminocarbonyl group, an alkylcarbonylamino group, a saturated heterocyclic group, an optionally substituted alkyl group, an optionally substituted cycloalkyl group or an optionally substituted heteroaryl group.

  [本发明要解决的问题］ 本发明的主要目的是提供一种新型吡啶衍生物或其药学上可接受的盐。 [解决问题的方法］ 由下式[1]代表的吡啶衍生物或其药学上可接受的盐。 在式[1]中，R 代表芳基或杂芳基，其中每个芳基和杂芳基可被一个或两个取代基取代，这些取代基独立地选自任选取代的烷基、羟基、卤素原子和通式[2]所代表的基团组成的组。在式 [2] 中 -L1-L2-L3-RA L1 和 L3 各自代表单键、亚烷基或环烷基；L2 代表单键、O 或 NRB；RB 代表 H 或任选取代的烷基；RA 代表 H、氨基、氰基、羟基、烷氧基、芳基、单烷基氨基、二烷基氨基、氨基甲酰基、烷氧基羰基、单烷基氨基羰基、二烷基氨基羰基、烷基羰基氨基、饱和杂环基、任选取代的烷基、任选取代的环烷基或任选取代的杂芳基。
• NOVEL BENZIMIDAZOLE COMPOUND AND PHARMACEUTICAL USE OF SAME
  申请人：Dainippon Sumitomo Pharma Co., Ltd.

  公开号：EP3348547A1

  公开（公告）日：2018-07-18

  The present invention provides a medicament for treating a disease involving Nav 1.7 such as neuropathic pain, nociceptive pain, inflammatory pain, small-fiber neuropathy, erythromelalgia, paroxysmal extreme pain disorder, dysuria, and multiple sclerosis, which comprises a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R1a, R1d, R1c and R1d are hydrogen, halogen, cyano, C1-4 alkyl, C1-4 alkoxy, or the like, provided that at least one of R1a, R1b, R1c and R1d is C6-10 aryl, C6-10 aryloxy, or the like, R2 and R3 are hydrogen, C1-6 alkyl, C3-10 cycloalkyl, or the like, R4 is hydrogen, C1-6 alkyl, C3-7 cycloalkyl, or the like, m is 1, 2 or 3, L is CR7R8, and R7 and R8 are hydrogen, hydroxyl, C1-4 alkyl, C1-4 alkoxy, or the like.

  本发明提供了一种用于治疗涉及 Nav 1.7 的疾病（如神经性疼痛、痛觉过敏、炎症性疼痛、小纤维神经病、红斑性疼痛、阵发性极度疼痛症、排尿困难和多发性硬化症）的药物，它包括式（I）化合物： 或其药学上可接受的盐，其中 R1a、R1d、R1c 和 R1d 是氢、卤素、氰基、C1-4 烷基、C1-4 烷氧基或类似物，条件是 R1a、R1b、R1c 和 R1d 中至少有一个是 C6-10 芳基、C6-10 芳氧基或类似物、R2和R3是氢、C1-6烷基、C3-10环烷基或类似物，R4是氢、C1-6烷基、C3-7环烷基或类似物，m是1、2或3，L是CR7R8，R7和R8是氢、羟基、C1-4烷基、C1-4烷氧基或类似物。
• Benzimidazole compound and medical use thereof
  申请人：Sumitomo Dainippon Pharma Co., Ltd.

  公开号：US10407395B2

  公开（公告）日：2019-09-10

  The present invention provides a medicament for treating a disease involving Nav 1.7 such as neuropathic pain, nociceptive pain, inflammatory pain, small-fiber neuropathy, erythromelalgia, paroxysmal extreme pain disorder, dysuria, and multiple sclerosis, which comprises a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R1a, R1b, R1c and R1d are hydrogen, halogen, cyano, C1-4 alkyl, C1-4 alkoxy, or the like, provided that at least one of R1a, R1b, R1c and R1d is C6-10 aryl, C6-10 aryloxy, or the like, R2 and R3 are hydrogen, C1-6 alkyl, C3-10 cycloalkyl, or the like, R4 is hydrogen, C1-6 alkyl, C3-7 cycloalkyl, or the like, m is 1, 2 or 3, L is CR7R8, and R7 and R8 are hydrogen, hydroxyl, C1-4 alkyl, C1-4 alkoxy, or the like.

  本发明提供了一种用于治疗涉及 Nav 1.7 的疾病（如神经性疼痛、痛觉过敏、炎症性疼痛、小纤维神经病、红斑性疼痛、阵发性极度疼痛症、排尿困难和多发性硬化症）的药物，它包括式（I）化合物： 或其药学上可接受的盐，其中 R1a、R1b、R1c 和 R1d 是氢、卤素、氰基、C1-4 烷基、C1-4 烷氧基或类似物，条件是 R1a、R1b、R1c 和 R1d 中至少有一个是 C6-10 芳基、C6-10 芳氧基或类似物、R2和R3是氢、C1-6烷基、C3-10环烷基或类似物，R4是氢、C1-6烷基、C3-7环烷基或类似物，m是1、2或3，L是CR7R8，R7和R8是氢、羟基、C1-4烷基、C1-4烷氧基或类似物。
• JP2018154620A5
  申请人：——

  公开号：JP2018154620A5

  公开（公告）日：2018-10-04