methyl [3-(2-chloroethoxy)phenyl]acetate | 42058-71-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl [3-(2-chloroethoxy)phenyl]acetate
• 英文别名: methyl 3-(2-chloroethyloxy)phenylacetate；[3-(2-chloroethoxy)phenyl]-acetic acid methyl ester；methyl 2-[3-(2-chloroethoxy)phenyl]acetate
• CAS: 42058-71-9
• 化学式: C₁₁H₁₃ClO₃
• 分子量: 228.675
• InChiKey: SAWHRCMWTSAFCH-UHFFFAOYSA-N

物化性质

• 沸点：
  317.7±22.0 °C(Predicted)
• 密度：
  1.177±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl [3-(2-chloroethoxy)phenyl]acetate 在 三乙胺 、 1-(甲磺酰基)-1H-苯并三唑 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二甲基亚砜 为溶剂， 反应 23.75h， 生成
  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
• 作为产物：
  描述：

  3-羟基苯乙酸 在 硫酸 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 53.0h， 生成 methyl [3-(2-chloroethoxy)phenyl]acetate
  参考文献：
  名称：

  [EN] COMPOSITIONS USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES
  [FR] COMPOSITIONS UTILES EN TANT QU'INHIBITEURS DE LA ROCK ET D'AUTRES PROTEINES KINASES

  摘要：

  公开号：

  WO2005105780A3

文献信息

• Substituted 3-cyanopyridines as protein kinase inhibitors
  申请人：Cole Cecil Derek

  公开号：US20070287708A1

  公开（公告）日：2007-12-13

  The present teachings provide compounds of formula I and their pharmaceutically acceptable salts, hydrates, and esters, wherein R 1 , R 2 , and X are as defined herein. The present teachings also provide methods of making the compounds of formula I, and methods of treating autoimmune and inflammatory diseases by administering a therapeutically effective amount of a compound or compounds of formula I to a mammal including a human.

  本发明的教导提供了公式I的化合物及其药用可接受的盐、水合物和酯，其中R1、R2和X如本文所述定义。本发明的教导还提供了制造公式I化合物的方法，以及通过向哺乳动物包括人类施用治疗有效量的公式I化合物或化合物来治疗自身免疫性和炎症性疾病的方法。
• Substituted Cyanopyridines as protein kinase inhibitors
  申请人：Cole Derek Cecil

  公开号：US20070287738A1

  公开（公告）日：2007-12-13

  The present teachings provide compounds of formula I and their pharmaceutically acceptable salts, hydrates, and esters, wherein R 1 , R 2 , and X are as defined herein. The present teachings also provide methods of making the compounds of formula I, and methods of treating autoimmune and inflammatory diseases by administering a therapeutically effective amount of a compound or compounds of formula I to a mammal including a human.

  本发明的教导提供了公式I的化合物及其药用可接受的盐、水合物和酯，其中R1、R2和X如本文所述定义。本发明的教导还提供了制造公式I化合物的方法，以及通过向哺乳动物包括人类施用治疗有效量的公式I化合物或化合物来治疗自身免疫性和炎症性疾病的方法。
• [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。
• 3-indolyl-4-phenyl-1H-pyrrole-2,5-dione derivatives as inhibitors of glycogen synthase kinase-3beta
  申请人：——

  公开号：US20020052397A1

  公开（公告）日：2002-05-02

  This invention relates to inhibitors of glycogen synthase kinase- 3 &bgr;, methods of treating diseases characterized by an excess of Th 2 cytokines, and to 3 -indolyl- 4 -phenyl- 1 H-pyrrole- 2,5 -dione derivatives of Formula (I): 1 that are inhibitors of glycogen synthase kinase - 3 &bgr;, pharmaceutical compositions containing them, methods for their use and methods for preparing these compounds.

  这项发明涉及抑制糖原合成酶激酶-3β的方法，用于治疗由Th2细胞因子过多引起的疾病，以及3-吲哚基-4-苯基-1H-吡咯-2,5-二酮衍生物的化合物(I)的方法：这些化合物是糖原合成酶激酶-3β的抑制剂，包含它们的药物组合物，使用它们的方法以及制备这些化合物的方法。
• Compositions useful as inhibitors of rock and other protein kinases
  申请人：——

  公开号：US20040122016A1

  公开（公告）日：2004-06-24

  The present invention relates to compounds useful as inhibitors of protein kinases. 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.

  本发明涉及用作蛋白激酶抑制剂的化合物。该发明还提供包含该化合物的药学上可接受的组合物，并提供使用该组合物治疗各种疾病、病症或障碍的方法。