3-(4-溴-2-噻吩基)-1-丙醇 | 1000529-80-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 中文名称: 3-(4-溴-2-噻吩基)-1-丙醇
• 英文名称: 3-(4-bromo-2-thienyl)-1-propanol
• 英文别名: 3-(4-Bromothiophen-2-yl)propan-1-ol
• CAS: 1000529-80-5
• 化学式: C₇H₉BrOS
• mdl: MFCD09927273
• 分子量: 221.118
• InChiKey: MAVFGAAOZDCELC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.428
• 拓扑面积：
  48.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-溴-2-噻吩基)-1-丙醇 、 3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-7-carboxamide 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 potassium carbonate 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以41%的产率得到3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-5-[5-(3-hydroxypropyl)-3-thienyl]-1H-indole-7-carboxamide
  参考文献：
  名称：

  WO2008/118724

  摘要：

  公开号：

文献信息

• [EN] ANTIBACTERIAL PYRROLOIMIDAZOLONES<br/>[FR] PYRROLOIMIDAZOLONES ANTIBACTÉRIENNES
  申请人：IDORSIA PHARMACEUTICALS LTD

  公开号：WO2019038362A1

  公开（公告）日：2019-02-28

  The invention relates to compounds of formula (I)wherein M represents a 5-membered heterocyclic aromatic ring and A is defined in the description. Further, the use of said compounds as antibacterial agents, especially against Gram-negative microorganismsn as well as methods for manufacturing said compounds are disclosed.

  这项发明涉及式(I)的化合物，其中M代表一个5-成员杂环芳香环，A在描述中有定义。此外，还披露了将这些化合物用作抗菌剂，特别是针对革兰氏阴性微生物，以及制造这些化合物的方法。
• 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。
• ANALOGUES DE LA VITAMINE D
  申请人：Galderma Research & Development, S.N.C.

  公开号：EP1235777A2

  公开（公告）日：2002-09-04
• US8071584B2
  申请人：——

  公开号：US8071584B2

  公开（公告）日：2011-12-06