Ethyl 3-(4-chloro-5-cyanothieno[2,3-b]pyridin-2-yl)prop-2-enoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: Ethyl 3-(4-chloro-5-cyanothieno[2,3-b]pyridin-2-yl)prop-2-enoate
• 英文别名: ethyl 3-(4-chloro-5-cyanothieno[2,3-b]pyridin-2-yl)prop-2-enoate
• 化学式: C₁₃H₉ClN₂O₂S
• 分子量: 292.746
• InChiKey: ISNJHLWFWSYTAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  91.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-氨基吲哚 、 Ethyl 3-(4-chloro-5-cyanothieno[2,3-b]pyridin-2-yl)prop-2-enoate 以 乙醇 为溶剂， 生成 ethyl 3-[5-cyano-4-(1H-indol-5-ylamino)thieno[2,3-b]pyridin-2-yl]prop-2-enoate
  参考文献：
  名称：

  2-Alkenylthieno[2,3-b]pyridine-5-carbonitriles: Potent and selective inhibitors of PKCθ

  摘要：

  A series of 2-alkenyl thieno[2,3-b] pyridine inhibitors of PKC theta were synthesized as potential inflammatory modulators. This series led to the discovery of 2-alkenyl amides, which are exceptionally potent and selective inhibitors of PKC theta. Compound 8 has an IC(50) of 3.8 nM against PKC theta and shows excellent selectivity over a variety of PKC isoforms. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.040
• 作为产物：
  描述：

  4-chloro-2-formylthieno[2,3-b]pyridine-5-carbonitrile 、 乙氧甲酰基亚甲基三苯基膦 以 四氢呋喃 为溶剂， 生成 Ethyl 3-(4-chloro-5-cyanothieno[2,3-b]pyridin-2-yl)prop-2-enoate
  参考文献：
  名称：

  2-Alkenylthieno[2,3-b]pyridine-5-carbonitriles: Potent and selective inhibitors of PKCθ

  摘要：

  A series of 2-alkenyl thieno[2,3-b] pyridine inhibitors of PKC theta were synthesized as potential inflammatory modulators. This series led to the discovery of 2-alkenyl amides, which are exceptionally potent and selective inhibitors of PKC theta. Compound 8 has an IC(50) of 3.8 nM against PKC theta and shows excellent selectivity over a variety of PKC isoforms. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.040

文献信息

• 2-Alkenylthieno[2,3-b]pyridine-5-carbonitriles: Potent and selective inhibitors of PKCθ
  作者：L. Nathan Tumey、Diane H. Boschelli、Julie Lee、Divya Chaudhary

  DOI：10.1016/j.bmcl.2008.06.040

  日期：2008.8

  A series of 2-alkenyl thieno[2,3-b] pyridine inhibitors of PKC theta were synthesized as potential inflammatory modulators. This series led to the discovery of 2-alkenyl amides, which are exceptionally potent and selective inhibitors of PKC theta. Compound 8 has an IC(50) of 3.8 nM against PKC theta and shows excellent selectivity over a variety of PKC isoforms. (c) 2008 Elsevier Ltd. All rights reserved.