(E)-ethyl 3-(4-chloropyridin-3-yl)acrylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (E)-ethyl 3-(4-chloropyridin-3-yl)acrylate
• 英文别名: 3-(4-Chloro-pyridin-3-yl)-acrylic acid ethyl ester；ethyl (E)-3-(4-chloropyridin-3-yl)prop-2-enoate
• 化学式: C₁₀H₁₀ClNO₂
• 分子量: 211.648
• InChiKey: FJRYWVGFSSUBEA-ONEGZZNKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (E)-ethyl 3-(4-chloropyridin-3-yl)acrylate 在 tris-(dibenzylideneacetone)dipalladium(0) 、 水 、 potassium carbonate 、 sodium hydroxide 、 2-(二环己基膦基)联苯 作用下， 以 四氢呋喃 、 乙二醇二甲醚 、 乙醇 、 水 为溶剂， 反应 25.0h， 生成 (2E)-3-(4-(1-cyclopropyl-1H-pyrazol-4-yl)pyridin-3-yl)acrylic acid
  参考文献：
  名称：

  HETEROCYCLIC COMPOUND

  摘要：

  本发明提供一种具有CDK8和/或CDK19抑制作用的杂环化合物。本发明提供一种由式(I)表示的化合物 （在式中，符号如描述中定义）或其盐。

  公开号：

  US20170044132A1
• 作为产物：
  描述：

  磷酰基乙酸三乙酯 、 4-氯吡啶-3-甲醛 在 sodium hydride 、 水 作用下， 以 四氢呋喃 为溶剂， 反应 16.33h， 以88%的产率得到(E)-ethyl 3-(4-chloropyridin-3-yl)acrylate
  参考文献：
  名称：

  [EN] INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53
  [FR] INHIBITEURS DE L'INTERACTION ENTRE MDM2 ET P53

  摘要：

  本发明提供了式（I）的化合物，其用作p53-MDM2相互作用的抑制剂，以及包含所述式（I）的化合物的药物组合物，其中n、m、p、s、t、R1、R2、R3、R4、R5、R6、R7、X、Y、Q和Z具有定义的含义。

  公开号：

  WO2006032631A1

文献信息

• TW2017/14883
  申请人：——

  公开号：——

  公开（公告）日：——
• Studies of CDK 8/19 inhibitors: Discovery of novel and selective CDK8/19 dual inhibitors and elimination of their CYP3A4 time-dependent inhibition potential
  作者：Jun Fujimoto、Takaharu Hirayama、Yasuhiro Hirata、Yukiko Hikichi、Saomi Murai、Maki Hasegawa、Yuka Hasegawa、Kazuko Yonemori、Akito Hata、Kazunobu Aoyama、Douglas R. Cary

  DOI：10.1016/j.bmc.2017.03.049

  日期：2017.6

  In this article, synthetic studies around a pyridylacrylamide-based hit compound (1), utilizing structure based drug design guided by CDK8 docking models, is discussed. Modification of the pendant 4-fluorophenyl group to various heteroaromatic rings was conducted aiming an interaction with the proximal amino acids, and then replacement of the morpholine ring was targeted for decreasing potential of time dependent CYP3A4 inhibition. These efforts led to the compound 4k, with enhanced CDK8 inhibitory activity and no apparent potential for time-dependent CYP3A4 inhibition (CDK8 IC50: 2.5 nM; CYP3A4 TDI: 99% compound remaining). Compound 4k was found to possess a highly selective kinase inhibition profile, and also showed favorable pharmacokinetic profile. Oral administration of 4k (15 mg/kg, bid. for 2 weeks) suppressed tumor growth (TIC 29%) in an RPM18226 mouse xenograft model. (C) 2017 Elsevier Ltd. All rights reserved.
• Inhibitors of the Interaction Between Mdm2 and P53
  申请人：Lacrampe Fernand Armand Jean

  公开号：US20080039472A1

  公开（公告）日：2008-02-14

  The present invention provides compounds of formula (I), their use as an inhibitor of a p53-MDM2 interaction as well as pharmaceutical compositions comprising said compounds of formula (I) wherein n, m, p, s, t, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X, Y, Q and Z have defined meanings.
• Inhibitors of the Interaction Between MDM2 and P53
  申请人：Lacrampe Jean Fernand Armand

  公开号：US20110053937A1

  公开（公告）日：2011-03-03

  The present invention provides compounds of formula (I), their use as an inhibitor of a p53-MDM2 interaction as well as pharmaceutical compositions comprising said compounds of formula (I) wherein n, m, p, s, t, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , X, Y, Q and Z have defined meanings.
• Sulfamate Derivative Compound for Use in Preventing or Treating Epilepsy
  申请人：BIO-PHARM SOLUTIONS, CO., LTD.

  公开号：US20160310461A1

  公开（公告）日：2016-10-27

  The present invention relates to a pharmaceutical composition for treating or preventing epilepsy containing a sulfamate derivative compound and/or pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a method for treatment or prevention epilepsy comprising administering a sulfamate derivative compound in a pharmaceutically effective amount to a subject in need of treatment or prevention of epilepsy.