(R)-3-methyl-2-((S)-piperazin-2-yl)butan-2-ol | 1321503-96-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (R)-3-methyl-2-((S)-piperazin-2-yl)butan-2-ol
• 英文别名: (2R)-3-methyl-2-[(2S)-piperazin-2-yl]butan-2-ol；(2R)-3-methyl-2-(piperazin-2-yl)butan-2-ol
• CAS: 1321503-96-1
• 化学式: C₉H₂₀N₂O
• 分子量: 172.271
• InChiKey: FWMIDOCQXUOCCE-DTWKUNHWSA-N

物化性质

• 沸点：
  273.7±20.0 °C(Predicted)
• 密度：
  0.961±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  44.3
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (R)-3-methyl-2-((S)-piperazin-2-yl)butan-2-ol 在 四(三苯基膦)钯 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 71.0h， 生成 (R)-2-((S)-4-(2-(2-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl)-3-methylbutan-2-ol formic acid
  参考文献：
  名称：

  [EN] PROTEIN KINASE C (PKC) THETA INHIBITOR COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS DE LA PROTÉINE KINASE C (PKC) THÊTA

  摘要：

  Provided are protein kinase C (PKC) theta inhibitor compounds. Also provided are methods of use of such compounds, as well as pharmaceutical compositions thereof.

  公开号：

  WO2024025896A2
• 作为产物：
  描述：

  tert-butyl (1R,8aS)-1-methyl-1-propan-2-yl-5,6,8,8a-tetrahydro-3H-[1,3]oxazolo[3,4-a]pyrazine-7-carboxylate 在 三氟甲磺酸 、 盐酸羟胺 作用下， 以 甲醇 、 乙酸丁酯 为溶剂， 反应 21.0h， 生成 (R)-3-methyl-2-((S)-piperazin-2-yl)butan-2-ol
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIDINE KINASE INHIBITORS
  [FR] INHIBITEURS DE LA PYRAZOLOPYRIDINE KINASE

  摘要：

  本发明涉及作为蛋白激酶抑制剂的化合物。该发明还提供了包括所述化合物的药学上可接受的组合物，以及使用这些组合物治疗各种疾病、症状或疾病的方法。该发明还提供了制备该发明化合物的方法。

  公开号：

  WO2011094273A1

文献信息

• [EN] PYRAZOLOPYRIMIDINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DES KINASES À BASE DE PYRAZOLOPYRIMIDINE
  申请人：VERTEX PHARMA

  公开号：WO2011094290A1

  公开（公告）日：2011-08-04

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及作为蛋白激酶抑制剂的化合物。该发明还提供包含所述化合物的药学上可接受的组合物，并提供使用这些组合物治疗各种疾病、病况或障碍的方法。该发明还提供制备本发明化合物的方法。
• PYRAZOLOPYRIDINE KINASE INHIBITORS
  申请人：Boyall Dean

  公开号：US20120071494A1

  公开（公告）日：2012-03-22

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含该化合物的药学上可接受的组合物，并提供了使用该组合物治疗各种疾病、病况或障碍的方法。本发明还提供了制备本发明化合物的方法。
• PYRAZOLOPYRIMIDINE KINASE INHIBITORS
  申请人：Jimenez Juan-Miguel

  公开号：US20130053394A1

  公开（公告）日：2013-02-28

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及作为蛋白激酶抑制剂有用的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、病况或障碍的方法。本发明还提供了制备本发明化合物的方法。
• Pyrazolopyrimidine kinase inhibitors
  申请人：Jimenez Juan-Miguel

  公开号：US08809335B2

  公开（公告）日：2014-08-19

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。本发明还提供了包含所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、病况或障碍的方法。本发明还提供了制备本发明化合物的方法。
• Design and Optimization of Selective Protein Kinase C θ (PKCθ) Inhibitors for the Treatment of Autoimmune Diseases
  作者：Juan-Miguel Jimenez、Dean Boyall、Guy Brenchley、Philip N. Collier、Christopher J. Davis、Damien Fraysse、Shazia B. Keily、Jaclyn Henderson、Andrew Miller、Francoise Pierard、Luca Settimo、Heather C. Twin、Claire M. Bolton、Adam P. Curnock、Peter Chiu、Adam J. Tanner、Stephen Young

  DOI：10.1021/jm301465a

  日期：2013.3.14

  Protein kinase C theta (PKC theta) has a central role in T cell activation and survival; however, the dependency of T cell responses to the inhibition of this enzyme appears to be dictated by the nature of the antigen and by the inflammatory environment. Studies in PKC theta-deficient mice have demonstrated that while antiviral responses are PKC theta-independent, T cell responses associated with autoimmune diseases are PKC theta-dependent. Thus, potent and selective inhibition of PKC theta is expected to block autoimmune T cell responses without compromising antiviral immunity. Herein, we describe the development of potent and selective PKC theta inhibitors, which show exceptional potency in cells and in vivo. By use of a structure based rational design approach, a 1000-fold improvement in potency and 76-fold improvement in selectivity over closely related PKC isoforms such as PKC delta were obtained from the initial HTS hit, together with a big improvement in lipophilic efficiency (LiPE).