N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide | 599191-62-5

• 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: N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
• 英文别名: N-[6-(4-Hydroxyphenyl)-1h-Indazol-3-Yl]butanamide
• CAS: 599191-62-5
• 化学式: C₁₇H₁₇N₃O₂
• 分子量: 295.341
• InChiKey: VCIZMGNKKFEEHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  78
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
  参考文献：
  名称：

  Rational design of potent GSK3β inhibitors with selectivity for Cdk1 and Cdk2

  摘要：

  From an HTS hit, a series of potent and selective inhibitors of GSK3 beta have been designed based on a Cdk2-homology model and with the help of several crystal structures of the compounds within Cdk2. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.114

文献信息

• Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof
  申请人：——

  公开号：US20040014802A1

  公开（公告）日：2004-01-22

  The present invention relates to the novel indazole derivatives of general formula (I): 1 in which: R is either O, S or NH; R3 is an alkyl, aryl, arylalkyl, heteroaryl, heteroarylalkyl, aryl, heterocycle, cycloalkyl, alkenyl, etc. radical; these radicals being optionally substituted with one or more substituents; R4, R5, R6 and R7 are chosen, independently of each other, from the following radicals: hydrogen, halogen, CN, NO 2 , NH 2 , OH, COOH, C(O)OR8, —O—C(O)R8, NR8R9, NHC(O)R8, C(O)NR8R9, NHC(S)R8, C(S)NR8R9, SR8, S(O)R8, SO 2 R8, NHSO 2 R8, SO 2 NR8R9, trifluoromethyl, trifluoromethoxy, alkyl, alkoxy, aryl, arylalkyl, heteroaryl, heteroarylalkyl, heterocycle, cycloalkyl, alkenyl, etc.; these radicals being optionally substituted with one or more substituents.

  本发明涉及一般式(I)的新型吲唑衍生物： 1 其中：R为O、S或NH；R3为烷基、芳基、芳基烷基、杂芳基、杂芳基烷基、芳基、杂环、环烷基、烯基等基团；这些基团可以选择性地被一个或多个取代基取代；R4、R5、R6和R7分别选择自以下基团：氢、卤素、CN、NO 2 、NH 2 、OH、COOH、C(O)OR8、—O—C(O)R8、NR8R9、NHC(O)R8、C(O)NR8R9、NHC(S)R8、C(S)NR8R9、SR8、S(O)R8、SO 2 R8、NHSO 2 R8、SO 2 NR8R9、三氟甲基、三氟甲氧基、烷基、烷氧基、芳基、芳基烷基、杂芳基、杂芳基烷基、杂环、环烷基、烯基等；这些基团可以选择性地被一个或多个取代基取代。
• Compositions and methods for increasing drug efficiency
  申请人：Newman James Michael

  公开号：US20050187147A1

  公开（公告）日：2005-08-25

  In one embodiment, provided herein are compositions and methods for increasing drug efficiency. In certain embodiments, the compositions contain conjugates having the formula: D-L-S wherein D is a drug moiety; L, which may or may not be present, is a non-releasing linker moiety; and S is a substrate for a protein or lipid kinase that is overexpressed, overactive or exhibits undesired activity in a target system.

  在一种实施例中，提供了增加药物效率的组合物和方法。在某些实施例中，该组合物包含具有以下公式的共轭物：D-L-S，其中D是药物基团；L是非释放性连接基团，可以存在也可以不存在；S是一种蛋白激酶或脂质激酶底物，在靶系统中过度表达、过度活跃或表现出不良活性。
• DERIVES D'AMINOINDAZOLES COMME INHIBITEURS DE PROTEINE-KINASE
  申请人：Aventis Pharma S.A.

  公开号：EP1487804A2

  公开（公告）日：2004-12-22
• AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM
  申请人：Pfizer Italia S.r.l.

  公开号：EP1506176B1

  公开（公告）日：2013-04-24
• JP2005530711A
  申请人：——

  公开号：JP2005530711A

  公开（公告）日：2005-10-13