[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate | 898044-21-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
• CAS: 898044-21-8
• 化学式: C₂₅H₂₉N₇O₂S
• 分子量: 491.617
• InChiKey: YPWSLAWIRVOTGF-LJQANCHMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-氯-2-甲基噻吩并[2,3-d]嘧啶 、 (S)-2-(dimethylamino)-1-phenylethyl 3-amino-6,6-dimethylpyrrolo[3,4-c]pyrazole-5(1H,4H,6H)-carboxylate 在 溶剂黄146 作用下， 以 水 为溶剂， 反应 1.0h， 以81.8%的产率得到[(1S)-2-(dimethylamino)-1-phenylethyl] 6,6-dimethyl-3-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]-1,4-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
  参考文献：
  名称：

  A novel method to enable SNAr reaction of aminopyrrolopyrazoles

  摘要：

  Here we report mild, environmentally-friendly reaction conditions which enable the addition-elimination SNAr reaction between weakly reactive substrates-an aminopyrrolopyrazole template and several substituted pyrimidines. The method was developed during our efforts to synthesize a series of novel P21-activated kinase (PAK) inhibitors. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.148

文献信息

• PYRROLOPYRAZOLE, POTENT KINASE INHIBITORS
  申请人：Zhang Junhu

  公开号：US20100222342A1

  公开（公告）日：2010-09-02

  Pyrrole pyrazole compounds of formula I, compositions including these compounds and methods of their use are provided. Preferred compounds of formula I have activity as protein kinase inhibitors, including as inhibitors of PAK4.

  提供了式I的吡咯吡唑化合物，包括这些化合物的组合物和使用它们的方法。式I的优选化合物具有蛋白激酶抑制剂的活性，包括作为PAK4的抑制剂。
• PYRROLOPYRAZOLES, POTENT KINASE INHIBITORS
  申请人：ZHANG Junhu

  公开号：US20120264751A1

  公开（公告）日：2012-10-18

  Pyrrole pyrazole compounds of formula I, compositions including these compounds and methods of their use are provided. Preferred compounds of formula I have activity as protein kinase inhibitors, including as inhibitors of PAK4.

  提供了公式I的吡咯吡唑化合物，包括这些化合物的组合物和使用它们的方法。公式I的优选化合物具有作为蛋白激酶抑制剂的活性，包括作为PAK4抑制剂。
• US8067591B2
  申请人：——

  公开号：US8067591B2

  公开（公告）日：2011-11-29
• US8530652B2
  申请人：——

  公开号：US8530652B2

  公开（公告）日：2013-09-10
• A novel method to enable SNAr reaction of aminopyrrolopyrazoles
  作者：Chuangxing Guo、Liming Dong、Joseph Marakovits、Susan Kephart

  DOI：10.1016/j.tetlet.2011.01.148

  日期：2011.4

  Here we report mild, environmentally-friendly reaction conditions which enable the addition-elimination SNAr reaction between weakly reactive substrates-an aminopyrrolopyrazole template and several substituted pyrimidines. The method was developed during our efforts to synthesize a series of novel P21-activated kinase (PAK) inhibitors. (c) 2011 Elsevier Ltd. All rights reserved.