2-(3-(3-(N-methyl-piperidin-4-yl)-propoxy)-phenyl)-N-(4-pyridin-4-yl-thiazol-2-yl)-acetamide | 692884-29-0

• 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: 2-(3-(3-(N-methyl-piperidin-4-yl)-propoxy)-phenyl)-N-(4-pyridin-4-yl-thiazol-2-yl)-acetamide
• 英文别名: 2-[3-[3-(1-methylpiperidin-4-yl)propoxy]phenyl]-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)acetamide
• CAS: 692884-29-0
• 化学式: C₂₅H₃₀N₄O₂S
• 分子量: 450.605
• InChiKey: JZOJZTZEIXHSQT-UHFFFAOYSA-N

物化性质

• 密度：
  1.201±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  95.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(3-(3-(N-Boc-piperidin-4-yl)-propoxy)-phenyl)-N-(4-pyridin-4-yl-thiazol-2-yl)-acetamide 在 甲酸 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 52.0h， 生成 2-(3-(3-(N-methyl-piperidin-4-yl)-propoxy)-phenyl)-N-(4-pyridin-4-yl-thiazol-2-yl)-acetamide
  参考文献：
  名称：

  ROCK inhibitors 2. Improving potency, selectivity and solubility through the application of rationally designed solubilizing groups

  摘要：

  Solubilizing groups have been frequently appended to kinase inhibitor drug molecules when solubility is insufficient for pharmaceutical development. Such groups are usually located at substitution sites that have minimal impact on target activity. In this report we describe the incorporation of solubilizing groups in a class of Rho kinase (ROCK) inhibitors that not only confer improved solubility, but also enhance target potency and selectivity against a closely related kinase, PKA.

  DOI：

  10.1016/j.bmcl.2018.06.043

文献信息

• [EN] COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES<br/>[FR] COMPOSITIONS UTILES EN TANT QU'INHIBITEURS DE ROCK ET D'AUTRES PROTEINES KINASES
  申请人：VERTEX PHARMA

  公开号：WO2004041813A1

  公开（公告）日：2004-05-21

  The present invention relates to substitute thiazole and thiophene derivatives useful as inhibitors of rock and other protein kinaeses. 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, including proliferative, cardiac and neurodegenerative diseases.

  本发明涉及替代噻唑和噻吩衍生物，可用作岩石和其他蛋白激酶的抑制剂。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，以及在治疗各种疾病、病况或紊乱，包括增殖性、心脏和神经退行性疾病中使用这些组合物的方法。
• COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP1558607A1

  公开（公告）日：2005-08-03