2-(3,5-二氯苯基)苯胺 | 111760-29-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-(3,5-二氯苯基)苯胺
• 中文别名: 2-(5-溴噻吩-2-基)哌嗪
• 英文名称: 2-(5-Bromothiophen-2-yl)piperazine
• CAS: 111760-29-3
• 化学式: C₈H₁₁BrN₂S
• 分子量: 247.16
• InChiKey: WDZOKSYMGVOWFV-UHFFFAOYSA-N

物化性质

• 沸点：
  337.7±42.0 °C(Predicted)
• 密度：
  1.467±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  T
• 危险类别码：
  R25
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  2-(3,5-二氯苯基)苯胺 、 7-氯-1-乙基-6-氟-4-氧氢喹啉-3-羧酸 在 氩 、 甲苯 、 氯仿 、 dimethylformamide-ether 作用下， 以 吡啶 为溶剂， 反应 18.0h， 以giving 440 mg of the desired product, mp 233°-235° C. (dec.)的产率得到7-[3-(5-Bromo-2-thienyl)-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
  参考文献：
  名称：

  7-(substituted)piperaziny

  摘要：

  7-(取代)piperazinyl-1-乙基-6-氟-4-氧代-3-喹啉羧酸及其药理学上可接受的盐，包含它们的组合物，用于生产它们的过程和中间体，以及使用它们治疗温血动物细菌感染的方法。

  公开号：

  US04940710A1

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。
• Piperazine derivatives
  申请人：American Cyanamid Company

  公开号：US05210193A1

  公开（公告）日：1993-05-11

  7-(substituted)piperazinyl-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acids, the pharmacologically acceptable salts thereof, compositions containing them, processes and intermediates for producing them, and methods of using them to treat bacterial infections in warm-blooded animals.

  7-(取代)piperazinyl-1-乙基-6-氟-4-氧代-3-喹啉羧酸及其药理学上可接受的盐，含有它们的组合物，生产它们的过程和中间体以及使用它们治疗温血动物细菌感染的方法。
• 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。
• 7-(Substituted)piperazinyl-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0230053A2

  公开（公告）日：1987-07-29

  7-(substituted)piperazinyl-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acids, the pharmacologically acceptable salts thereof, compositions containing them, processes and intermediates for producing them, and methods of using them to treat bacterial infections in warm-blooded animals.

  7-(取代)哌嗪基-1-乙基-6-氟-4-氧代-3-喹啉羧酸、其药理上可接受的盐、含有它们的组合物、生产它们的工艺和中间体，以及用它们治疗温血动物细菌感染的方法。
• US4940710A
  申请人：——

  公开号：US4940710A

  公开（公告）日：1990-07-10