1,2,2-三甲基哌嗪二盐酸盐 | 932047-03-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1,2,2-三甲基哌嗪二盐酸盐
• 英文名称: 1,2,2-Trimethylpiperazine dihydrochloride
• 英文别名: 1,2,2-trimethylpiperazine;dihydrochloride
• CAS: 932047-03-5
• 化学式: C7H18Cl2N2
• mdl: MFCD26959634
• 分子量: 201.13
• InChiKey: AQVHNNSIODHDPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (S)-tert-butyl 1-(3-fluoro-4-formylphenyl)ethylcarbamate 、 1,2,2-三甲基哌嗪二盐酸盐 、 三乙酰氧基硼氢化钠 、 methanol-dichloromethane 在 碳酸氢钠 、 乙酸乙酯 、 Sodium sulfate-III 、 Silica gel 作用下， 以 四氢呋喃 为溶剂， 反应 17.0h， 生成 (S)-tert-butyl 1-(3-fluoro-4-((3,3,4-trimethylpiperazin-1-yl)methyl)phenyl)ethylcarbamate
  参考文献：
  名称：

  3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH

  摘要：

  本发明涉及一种公式(I)或其药学上可接受的盐，其中R1，R2a，R2b和R3-R7如下。本发明还涉及含有公式(I)化合物的组合物，并且涉及使用这种化合物来抑制具有新异构酶活性的突变IDH蛋白质。本发明进一步涉及使用公式(I)化合物来治疗与这种突变IDH蛋白质相关的疾病或障碍，包括但不限于细胞增殖障碍，如癌症。

  公开号：

  US09434719B2

文献信息

• 4-Phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives
  申请人：Rankovic Zoran

  公开号：US20070111992A1

  公开（公告）日：2007-05-17

  Disclosed herein are 4-phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives having Formula I, wherein each of the substituents is given the definition as set forth in the specification and claims; or a pharmaceutically acceptable salt thereof. Also disclosed are pharmaceutical compositions comprising these 4-phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives and use of these 4-phenyl-6-substituted-pyrimidine-2-carbonitrile derivatives for the treatment of cathepsin K and cathepsin S related disorders, e.g. osteoporosis, atherosclerosis, inflammation and immune disorders such as rheumatoid arthritis and chronic pain.

  本文披露了具有化学式I的4-苯基-6-取代嘧啶-2-碳腈衍生物，其中每个取代基的定义如规范和索赔中所述；或其药学上可接受的盐。还披露了包含这些4-苯基-6-取代嘧啶-2-碳腈衍生物的药物组合物，以及利用这些4-苯基-6-取代嘧啶-2-碳腈衍生物治疗与卡特普辛K和卡特普辛S相关的疾病，例如骨质疏松症、动脉粥样硬化、炎症和风湿性关节炎、慢性疼痛等。
• 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH
  申请人：VESTAS WIND SYSTEMS A/S

  公开号：US20140235620A1

  公开（公告）日：2014-08-21

  The invention is directed to a compound of formula (I) or a pharmaceutically acceptable salt thereof, wherein R 1 -R 6 are defined herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  该发明涉及公式（I）的化合物或其药用盐，其中R1-R6在此处定义。该发明还涉及含有公式（I）化合物的组合物，以及利用这些化合物抑制具有新型活性的突变IDH蛋白。该发明还涉及利用公式（I）的化合物治疗与这些突变IDH蛋白相关的疾病或紊乱，包括但不限于细胞增殖紊乱，如癌症。
• SULFONAMIDE DERIVATIVE HAVING COUMARIN SKELETON
  申请人：Daiichi Sankyo Company, Limited

  公开号：US20190284198A1

  公开（公告）日：2019-09-19

  Provided is a novel compound or a salt thereof inhibiting MTHFD2 and useful for treating a disease caused by overexpression of MTHFD2, a disease involved in overexpression of MTHFD2 and/or a disease associated with overexpression of MTHFD2. Solution Provided is a sulfonamide derivative having a coumarin skeleton represented by the following formula (I) and having various substituents: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are the same as defined in the specification, and a salt thereof.

  提供了一种新的化合物或其盐，用于抑制MTHFD2并用于治疗由MTHFD2过度表达引起的疾病，涉及MTHFD2过度表达的疾病和/或与MTHFD2过度表达相关的疾病。解决方案提供了一种具有以下式（I）所表示的香豆素骨架的磺胺衍生物，具有各种取代基：其中R1、R2、R3、R4、R5、R6和R7与规范中定义的相同，并且其盐。
• Sulfonamide derivative having coumarin skeleton
  申请人：Daiichi Sankyo Company, Limited

  公开号：US10774087B2

  公开（公告）日：2020-09-15

  Provided is a novel compound or a salt thereof inhibiting MTHFD2 and useful for treating a disease caused by overexpression of MTHFD2, a disease involved in overexpression of MTHFD2 and/or a disease associated with overexpression of MTHFD2. Solution Provided is a sulfonamide derivative having a coumarin skeleton represented by the following formula (I) and having various substituents: wherein R1, R2, R3, R4, R5, R6 and R7 are the same as defined in the specification, and a salt thereof.

  本发明提供了一种新型化合物或其盐，抑制 MTHFD2，可用于治疗由 MTHFD2 过度表达引起的疾病、MTHFD2 过度表达导致的疾病和/或与 MTHFD2 过度表达相关的疾病。 解决方案 本发明提供了一种磺酰胺衍生物，其香豆素骨架由下式(I)表示，并具有各种取代基： 其中 R1、R2、R3、R4、R5、R6 和 R7 与说明书中定义的相同、 及其盐类。
• US20140275083A1
  申请人：——

  公开号：——

  公开（公告）日：——