1-acetyl-3-tert-butoxycarbonylamino-5-[4-(1-tert-butoxycarbonylamino-1-methylethyl)phenyl]-1H-indazole | 850360-95-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-acetyl-3-tert-butoxycarbonylamino-5-[4-(1-tert-butoxycarbonylamino-1-methylethyl)phenyl]-1H-indazole
• 英文别名: tert-butyl N-[2-[4-[1-acetyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]indazol-5-yl]phenyl]propan-2-yl]carbamate
• CAS: 850360-95-1
• 化学式: C₂₈H₃₆N₄O₅
• 分子量: 508.618
• InChiKey: KJQNTMSVRCEIEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  37
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  112
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  三氟乙酸 、 1-acetyl-3-tert-butoxycarbonylamino-5-[4-(1-tert-butoxycarbonylamino-1-methylethyl)phenyl]-1H-indazole 在 水 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 (3R,4R;3S,4S)-{1-[4-(4-chloro-phenoxy)-pyrrolidin-3-yl]-piperidin-4-yl}-(4-fluoro-phenyl)methanone bistrifluoroacetate
  参考文献：
  名称：

  WO2006/71958

  摘要：

  公开号：
• 作为产物：
  描述：

  对氯苯酚 、 3-[4-(4-chloro-benzoyl)-piperazin-1-yl]-4-hydroxy-pyrrolidme-1-carboxylic acid tert-butyl ester 在 偶氮二甲酸二异丙酯 、 三苯基膦 、 3,3-二甲基-[1,2,5]噻二唑烷 1,1-二氧化物 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 1-acetyl-3-tert-butoxycarbonylamino-5-[4-(1-tert-butoxycarbonylamino-1-methylethyl)phenyl]-1H-indazole
  参考文献：
  名称：

  WO2006/71958

  摘要：

  公开号：

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。
• NOVEL INDAZOLE DERIVATIVE
  申请人：Ube Industries, Ltd.

  公开号：EP1679308A1

  公开（公告）日：2006-07-12

  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; R1 and R2 are H or alkyl; R3 and R4 are halogen, H, OH, alkoxy, alkenyloxy, alkynyloxy, cycloalkyloxy, cycloalkenyloxy, aryloxy, alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, carboxy, hydrocarbonyl, alkylcarbonyl, etc.; and R5 is halogen atom, H, OH, alkoxy, aryloxy, alkyl or aryl. Each group can be substituted.

  本发明的目的是创造一种可用作药物的新型吲唑衍生物，并找到该衍生物的新型药理作用。本发明的化合物由式[I]表示，具有很好的 Rho 激酶抑制作用。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、烃基、烷基羰基等；R5 是卤原子、H、OH、烷氧基、芳氧基、烷基或芳基。每个基团都可以被取代。
• Novel indazole derivative
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP2468729A1

  公开（公告）日：2012-06-27

  The invention relates to compounds of formula (I): in which R1, R2, R3, R4, R5 and X are as defined in the description. These compounds are useful as Rho kinase inhibitors.

  本发明涉及式 (I) 化合物： 其中 R1、R2、R3、R4、R5 和 X 如描述中所定义。这些化合物可用作 Rho 激酶抑制剂。
• 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