1H-1,2,3-Benzotriazole, 1-(3,3-dimethyl-1-butynyl)-

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1H-1,2,3-Benzotriazole, 1-(3,3-dimethyl-1-butynyl)-
• 英文别名: 1-(3,3-dimethylbut-1-ynyl)benzotriazole
• 化学式: C₁₂H₁₃N₃
• 分子量: 199.25
• InChiKey: DQMRFMWRLJBNCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Alkyne Compounds for Treatment of Complement Mediated Disorders
  申请人：ACHILLION PHARMACEUTICALS, INC.

  公开号：US20150239868A1

  公开（公告）日：2015-08-27

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof, wherein R 12 or R 13 on the A group is an alkyne (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.

  本文提供了包含化合物I式，或其药学上可接受的盐或组成物的补体因子D抑制剂的制备方法和使用方法，其中A组上的R12或R13是炔基（R32）。所述的抑制剂靶向因子D，并在替代补体途径的早期和关键点抑制或调节补体级联反应，并减少因子D调节经典和凝集素补体途径的能力。本文所述的因子D抑制剂能够减少过度激活补体，这与某些自身免疫性、炎症性和神经退行性疾病以及缺血再灌注损伤和癌症有关。
• THERAPEUTIC METHODS USING WRN BINDING MOLECULES
  申请人：Gilchrest Barbara A.

  公开号：US20100093716A1

  公开（公告）日：2010-04-15

  The present invention provides, inter alia, compositions and methods for treating various diseases and disorders in a mammal by administering to a mammal in need an effective amount of a composition comprising a non-DNA small molecule that binds WRN, such as members of the spirooxindole (SPOX) class.
• ALKYNE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS
  申请人：Achillion Pharmaceuticals, Inc.

  公开号：US20180072762A1

  公开（公告）日：2018-03-15

  Compounds, methods of use, and processes for making inhibitors of complement factor D comprising Formula I, or a pharmaceutically acceptable salt or composition thereof, wherein R 12 or R 13 on the A group is an alkyne (R 32 ) are provided. The inhibitors described herein target factor D and inhibit or regulate the complement cascade at an early and essential point in the alternative complement pathway, and reduce factor D's ability to modulate the classical and lectin complement pathways. The inhibitors of factor D described herein are capable of reducing the excessive activation of complement, which has been linked to certain autoimmune, inflammatory, and neurodegenerative diseases, as well as ischemia-reperfusion injury and cancer.
• US9828396B2
  申请人：——

  公开号：US9828396B2

  公开（公告）日：2017-11-28