1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-[2-phenyltetrahydro-2H-thiopyran-4-yl]-1H-indole-1,7-dicarboxylate | 1065183-24-5

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-[2-phenyltetrahydro-2H-thiopyran-4-yl]-1H-indole-1,7-dicarboxylate
• 英文别名: 1-(1,1-Dimethylethyl) 7-ethyl 5-bromo-3-(2-phenyltetrahydro-2H-thiopyran-4-yl)-1H-indole-1,7-dicarboxylate；1-O-tert-butyl 7-O-ethyl 5-bromo-3-(2-phenylthian-4-yl)indole-1,7-dicarboxylate
• CAS: 1065183-24-5
• 化学式: C₂₇H₃₀BrNO₄S
• 分子量: 544.51
• InChiKey: SBKUIPQRZQQGJE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  82.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-[2-phenyltetrahydro-2H-thiopyran-4-yl]-1H-indole-1,7-dicarboxylate 在 过氧化脲素 、 三氟乙酸酐 作用下， 以 乙腈 为溶剂， 生成 1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-[1,1-dioxido-2-phenyltetrahydro-2H-thiopyran-4-yl]-1H-indole-1,7-dicarboxylate
  参考文献：
  名称：

  WO2008/118724

  摘要：

  公开号：
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 ethyl 5-bromo-3-(2-phenyltetrahydro-2H-thiopyran-4-yl)-1H-indole-7-carboxylate 在 4-二甲氨基吡啶 作用下， 以 乙腈 为溶剂， 生成 1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-[2-phenyltetrahydro-2H-thiopyran-4-yl]-1H-indole-1,7-dicarboxylate 、 1-(1,1-dimethylethyl) 7-ethyl 5-bromo-3-[2-phenyltetrahydro-2H-thiopyran-4-yl]-1H-indole-1,7-dicarboxylate
  参考文献：
  名称：

  WO2008/118724

  摘要：

  公开号：

文献信息

• INDOLE CARBOXAMIDES AS IKK2 INHIBITORS
  申请人：Boehm Jeffrey Charles

  公开号：US20120040958A1

  公开（公告）日：2012-02-16

  The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. 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, rhinitis, 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化合物。具体而言，本发明涉及符合式(I)的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘、鼻炎和COPD（慢性阻塞性肺疾病）。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制IKK2活性和治疗与之相关的疾病的方法。
• Indole carboxamides as IKK2 inhibitors
  申请人：GlaxoSmithKline LLC

  公开号：US08071584B2

  公开（公告）日：2011-12-06

  The invention is directed to novel indole carboxamide derivatives. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. 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, rhinitis, 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.

  本发明涉及新型的吲哚羧酰胺衍生物。具体而言，本发明涉及式（I）所示的化合物：其中R1、R2、R3、R4和m的定义如本文所述。本发明所述的化合物是IKK2的抑制剂，可用于治疗与不适当的IKK2（也称为IKKβ）活性相关的疾病，如类风湿性关节炎、哮喘、鼻炎和COPD（慢性阻塞性肺疾病）。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物抑制IKK2活性和治疗与之相关的疾病的方法。
• US8071584B2
  申请人：——

  公开号：US8071584B2

  公开（公告）日：2011-12-06
• US8372875B2
  申请人：——

  公开号：US8372875B2

  公开（公告）日：2013-02-12
• [EN] INDOLE CARBOXAMIDES AS IKK2 INHIBITORS<br/>[FR] INDOLE CARBOXAMIDES EN TANT QU'INHIBITEURS D'IKK2
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2008118724A1

  公开（公告）日：2008-10-02

  [EN] The invention is directed to novel indole carboxamide compounds. Specifically, the invention is directed to compounds according to formula (I): wherein R1, R2, R3, R4, and m are as defined herein. 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 IKKß) activity, such as rheumatoid arthritis, asthma, rhinitis, 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.
  [FR] L'invention concerne de nouveaux composés d'indole carboxamide. L'invention concerne spécifiquement des composés de formule (I) : dans laquelle R1, R2, R3, R4 et m sont tels que définis dans le présent document. Les composés selon l'invention sont des inhibiteurs d'IKK2 et peuvent être utiles dans le traitement de troubles associés avec une activité inappropriée d'IKK2 (également connu sous le nom d'IKKß), par exemple la polyarthrite rhumatoïde, l'asthme, la rhinite et la BPCO (bronchopneumopathie chronique obstructive). L'invention concerne également des compositions pharmaceutiques qui comprennent un composé selon l'invention. L'invention concerne également des procédés d'inhibition de l'activité d'IKK2 et de traitement de troubles associés avec l'activité d'IKK2 qui utilisent un composé selon l'invention ou une composition pharmaceutique qui comprend un composé selon l'invention.