3-[1-(ethanesulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide | 860625-20-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-[1-(ethanesulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide
• 英文别名: 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxoborolan-2-yl)-1H-indole-7-carboxamide；3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide；3-(1-ethylsulfonylpiperidin-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide
• CAS: 860625-20-3
• 化学式: C₂₂H₃₂BN₃O₅S
• 分子量: 461.39
• InChiKey: JQGPTWOSQMRKLG-UHFFFAOYSA-N

物化性质

• 沸点：
  676.6±65.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  123
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-[1-(ethanesulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide 在 sodium hydroxide 、 双氧水 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 1.5h， 以43.2%的产率得到3-[1-(ethylsulfonyl)-4-piperidinyl]-5-hydroxy-1H-indole-7-carboxamide
  参考文献：
  名称：

  WO2007/62318

  摘要：

  公开号：
• 作为产物：
  描述：

  5-bromo-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide 、 联硼酸频那醇酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride potassium acetate 作用下， 以 甲苯 为溶剂， 反应 0.75h， 生成 3-[1-(ethanesulfonyl)-4-piperidinyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide
  参考文献：
  名称：

  [EN] INDOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS IN PARTICULAR IKK2 INHIBITORS
  [FR] DERIVES D'INDOLE ET UTILISATION DE CEUX-CI COMME INHIBITEURS DE KINASE, NOTAMMENT DES INHIBITEURS DE IKK2

  摘要：

  提供式(I)的吲哚羧酰胺化合物作为激酶活性的抑制剂，特别是IKK2活性的抑制剂，以及含有它们的组合物和药物，用于炎症和组织修复障碍的治疗。

  公开号：

  WO2005067923A1

文献信息

• CHEMICAL COMPOUNDS
  申请人：Deng Jianghe

  公开号：US20090143372A1

  公开（公告）日：2009-06-04

  The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula I: where R1, R2, R3, U and V are defined below and to pharmaceutically acceptable salts thereof. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  这项发明涉及新型吲哚羧酰胺衍生物。具体而言，该发明涉及符合以下式I的化合物： 其中R1、R2、R3、U和V如下定义，并且其药学上可接受的盐。该发明的化合物是IKK2的抑制剂，可用于治疗与不当IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘和慢性阻塞性肺病（COPD）。因此，该发明进一步涉及包含该发明化合物的药物组合物。该发明还进一步涉及使用该发明化合物或包含该发明化合物的药物组合物抑制IKK2活性和治疗相关疾病的方法。
• Chemical Compounds
  申请人：Kerns Jeffrey K.

  公开号：US20080269291A1

  公开（公告）日：2008-10-30

  The invention is directed to novel indolecarboxamide derivatives. Specifically, the invention is directed to compounds according to formula (I): where R1, R2, R3 and X are defined below. These compounds are useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, in particular in the treatment and prevention of disorders mediated by IKK2 mechanisms including inflammatory and tissue repair disorders. Such disorders include rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease).

  本发明涉及一种新型吲哚羧酰胺衍生物。具体而言，本发明涉及符合式(I)的化合物：其中R1、R2、R3和X的定义如下。这些化合物在治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病方面是有用的，特别是在治疗和预防由IKK2机制介导的疾病，包括类风湿性关节炎、哮喘和COPD（慢性阻塞性肺疾病）方面。
• Indole Derivatives and Use Thereof as Kinase Inhibitors in Particular Ikk2 Inhibitors
  申请人：Baldwin Ian Robert

  公开号：US20080269200A1

  公开（公告）日：2008-10-30

  Indole carboxamide compounds of Formula (I): are provided as inhibitors of kinase activity, in particular IKK2 activity as well as compositions and medicaments containing them, for use in inflammatory and tissue repair disorders.

  提供一种式子为(I)的吲哚羧酰胺化合物，作为激酶活性的抑制剂，特别是IKK2活性的抑制剂，并提供包含它们的组合物和药物，用于治疗炎症和组织修复性疾病。
• Chemical compounds
  申请人：GlaxoSmithKline, LLC

  公开号：US08063071B2

  公开（公告）日：2011-11-22

  The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula I: where R1, R2, R3, U and V are defined below and to pharmaceutically acceptable salts thereof. The compounds of the invention are inhibitors of IKK2 and can be useful in the treatment of disorders associated with inappropriate IKK2 (also known as IKKβ) activity, such as rheumatoid arthritis, asthma, and COPD (chronic obstructive pulmonary disease). Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting IKK2 activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及新型吲哚羧酰胺衍生物。具体而言，本发明涉及按式I定义的化合物，其中R1，R2，R3，U和V如下所定义，并且其药学上可接受的盐。本发明的化合物是IKK2的抑制剂，并可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，例如类风湿性关节炎、哮喘和COPD（慢性阻塞性肺疾病）。因此，本发明还涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明化合物或包含本发明化合物的药物组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2007005534A3

  公开（公告）日：2007-04-26