2-Acetyl-3-(3-chlorophenyl)acrylamide | 393125-31-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-Acetyl-3-(3-chlorophenyl)acrylamide
• 英文别名: 2-[(3-chlorophenyl)methylidene]-3-oxobutanamide
• CAS: 393125-31-0
• 化学式: C₁₁H₁₀ClNO₂
• 分子量: 223.659
• InChiKey: AURXTIPUOQANMM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-amino-4-(2-methoxyphenyl)imidazole 、 2-Acetyl-3-(3-chlorophenyl)acrylamide 在 N,N-二异丙基乙胺 作用下， 以 异丙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors

  摘要：

  The synthesis and SAR of aminomethyl-substituted imidazolopyrimidine DPP4 inhibitors bearing varied pendant aryl groups is described. Compound 1, which exists as a separable mixture of non-interconvertible atropisomers was used as the starting point for investigation. The effects of substituent pattern and type as well as stereochemical effects on inhibitor potency are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.090
• 作为产物：
  描述：

  乙酰乙酰胺 、 3-氯苯甲醛 在 哌啶 、 溶剂黄146 作用下， 以 异丙醇 为溶剂， 生成 2-Acetyl-3-(3-chlorophenyl)acrylamide
  参考文献：
  名称：

  Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors

  摘要：

  The synthesis and SAR of aminomethyl-substituted imidazolopyrimidine DPP4 inhibitors bearing varied pendant aryl groups is described. Compound 1, which exists as a separable mixture of non-interconvertible atropisomers was used as the starting point for investigation. The effects of substituent pattern and type as well as stereochemical effects on inhibitor potency are discussed. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.090

文献信息

• Dihydropyridine derivatives
  申请人：AJINOMOTO CO. INC

  公开号：US20020147222A1

  公开（公告）日：2002-10-10

  Compounds having a selective N-type calcium channel antagonistic activity are provided. Dihydropyridine derivatives represented by the following formula: 1 analogs thereof and pharmaceutically acceptable salts thereof have an activity of selectively inhibiting the action of N-type calcium channel, and they are used as therapeutic agents for various diseases relating to N-type calcium channel.

  提供了具有选择性N型钙通道拮抗活性的化合物。以下式子所代表的二氢吡啶衍生物：1类似物及其药学上可接受的盐具有选择性抑制N型钙通道的作用，它们被用作治疗与N型钙通道相关的各种疾病的治疗剂。
• Synthesis, SAR, and atropisomerism of imidazolopyrimidine DPP4 inhibitors
  作者：Stephen P. O’Connor、Ying Wang、Ligaya M. Simpkins、Robert P. Brigance、Wei Meng、Aiying Wang、Mark S. Kirby、Carolyn A. Weigelt、Lawrence G. Hamann

  DOI：10.1016/j.bmcl.2010.08.090

  日期：2010.11

  The synthesis and SAR of aminomethyl-substituted imidazolopyrimidine DPP4 inhibitors bearing varied pendant aryl groups is described. Compound 1, which exists as a separable mixture of non-interconvertible atropisomers was used as the starting point for investigation. The effects of substituent pattern and type as well as stereochemical effects on inhibitor potency are discussed. (C) 2010 Elsevier Ltd. All rights reserved.