5-(3,3-dimethylbut-1-yn-1-yl)pyrimidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-(3,3-dimethylbut-1-yn-1-yl)pyrimidine
• 英文别名: 5-(3,3-Dimethylbut-1-yn-1-yl)pyrimidine；5-(3,3-dimethylbut-1-ynyl)pyrimidine
• 化学式: C₁₀H₁₂N₂
• 分子量: 160.219
• InChiKey: SWPUKHNHKVKXQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-溴嘧啶 、 3,3-二甲基-1-丁炔 以 乙腈 为溶剂， 反应 24.0h， 以49%的产率得到5-(3,3-dimethylbut-1-en-1-yl)pyrimidine
  参考文献：
  名称：

  二嗪的光化学功能化：无金属的乙烯基化和膦酰化

  摘要：

  在温和的UVA照射下，可激活溴代二嗪的C Br键以生成相应的自由基中间体。在炔烃的存在下，发生烯基化反应以中等收率得到乙烯基嘧啶。Csp2-磷键也可以在Arbuzov反应的光化学形式中轻松创建。使用UVA和化学计量的亚磷酸三甲酯，可以以高至高收率分离出相应的膦酸酯。在这些温和的辐射条件下观察到非常有趣的选择性。可以接合功能化的底物，并且可以将所得产物进一步衍生化。

  DOI：

  10.1016/j.tet.2016.07.069

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。
• ANTIBACTERIAL 2H-INDAZOLE DERIVATIVES
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：US20160221959A1

  公开（公告）日：2016-08-04

  The invention relates to antibacterial compounds of formula I wherein R 1 is H or halogen; R 2 is alkynyloxy or the group M; R 3 is H or halogen; M is one of the groups wherein A is a bond, CH 2 CH 2 , CH═CH or C≡C and R 1A , R 2A , R 3A , R 1B and R 1C are as defined in claim 1; and salts thereof.

  本发明涉及公式I的抗菌化合物，其中R1为H或卤素; R2为炔氧基或M基团; R3为H或卤素; M为下列基团之一：其中A为键，CH2CH2，CH═CH或C≡C，而R1A、R2A、R3A、R1B和R1C如权利要求1所定义;以及其盐。
• 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
• US9802901B2
  申请人：——

  公开号：US9802901B2

  公开（公告）日：2017-10-31