1-acetyl-5-[5-(1-tert-butoxycarbonylamino-1-methylethyl)pyridin-2-yl]-1H-indazole | 850361-24-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1-acetyl-5-[5-(1-tert-butoxycarbonylamino-1-methylethyl)pyridin-2-yl]-1H-indazole
• 英文别名: tert-butyl N-[2-[6-(1-acetylindazol-5-yl)pyridin-3-yl]propan-2-yl]carbamate
• CAS: 850361-24-9
• 化学式: C₂₂H₂₆N₄O₃
• 分子量: 394.473
• InChiKey: YWYLGUAZIQITGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  86.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  tert-butyl (2-(6-bromopyridin-3-yl)propan-2-yl)carbamate 、 1-acetyl-5-(4,4,5,5-tetramethyl[1,3,2]dioxaborolanyl)-1H-indazole 在 bis-triphenylphosphine-palladium(II) chloride cesium fluoride 作用下， 以 乙二醇二甲醚 为溶剂， 反应 4.0h， 以27%的产率得到1-acetyl-5-[5-(1-tert-butoxycarbonylamino-1-methylethyl)pyridin-2-yl]-1H-indazole
  参考文献：
  名称：

  NOVEL INDAZOLE DERIVATIVE

  摘要：

  公开号：

  EP1679308B1

文献信息

• Novel indazole derivatives
  申请人：Hagihara Masahiko

  公开号：US20070129404A1

  公开（公告）日：2007-06-07

  An object of the present invention is to create a novel indazole derivative useful as a drug and to find a novel pharmacological action of the derivative. The compound of the present invention is represented by the formula [I] and has an excellent Rho kinase inhibiting action. In the formula, a ring X is a benzene ring or a pyridine ring; R 1 and R 2 are H or alkyl; R 3 and R 4 are halogen, H, OH, alkoxy, alkenyloxy, alkynyloxy, cycloalkyloxy, cycloalkenyloxy, aryloxy, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, carboxy, hydrocarbonyl, alkylcarbonyl, etc.; and R 5 is halogen atom, H, OH, alkoxy, aryloxy, alkyl or aryl. Each group can be substituted.

  本发明的目的是创建一种新的吲唑衍生物作为药物，并找到该衍生物的新的药理作用。本发明的化合物由公式[I]表示，并具有出色的Rho激酶抑制作用。在公式中，环X是苯环或吡啶环；R1和R2是H或烷基；R3和R4是卤素，H，OH，烷氧基，烯氧基，炔氧基，环烷氧基，环烯氧基，芳氧基，烷基，烯基，炔基，环烷基，环烯基，芳基，羧基，烷基羰基等；而R5是卤素原子，H，OH，烷氧基，芳氧基，烷基或芳基。每个基团都可以被取代。
• Methods for treating a disease in which Rho kinase is involved
  申请人：Hagihara Masahiko

  公开号：US20090264468A1

  公开（公告）日：2009-10-22

  A method for treating a disease in which Rho kinase is involved. The method is carried out by administering to a patient in need thereof a pharmaceutically effective amount of a compound of the following formula or a pharmaceutically acceptable salt thereof: , wherein the ring X is a benzene ring or a pyridine ring; R 1 and R 2 are hydrogen or alkyl or together form a cycloalkene ring; R 3 is hydrogen, substituted alkyl, unsubstituted alkenyl, carboxyl or an ester or an amide thereof, amino or a cyano; R 4 is hydrogen, hydroxyl, substituted or unsubstituted alkoxy, unsubstituted alkenyloxy, unsubstituted cycloalkyloxy, substituted or unsubstituted alkyl, unsubstituted alkenyl, unsubstituted cycloalkyl, amino, substituted or unsubstituted alkylamino, nitro, cyano or a monocyclic heterocycle; and R 5 is a halogen atom or a hydrogen atom.
• US7563906B2
  申请人：——

  公开号：US7563906B2

  公开（公告）日：2009-07-21
• US7855222B2
  申请人：——

  公开号：US7855222B2

  公开（公告）日：2010-12-21
• US8232308B2
  申请人：——

  公开号：US8232308B2

  公开（公告）日：2012-07-31