ethyl 2-(2-chlorophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate | 1039053-23-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 2-(2-chlorophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
• 英文别名: ethyl 2-(2-chlorophenyl)-3-oxo-1H-pyrazole-4-carboxylate
• CAS: 1039053-23-0
• 化学式: C₁₂H₁₁ClN₂O₃
• 分子量: 266.684
• InChiKey: UNEKZTVOVSFNHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(2-chlorophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate 在 sodium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 19.0h， 以49%的产率得到2-(2-chlorophenyl)-4H-pyrazol-3-one
  参考文献：
  名称：

  P2Y1 receptor antagonists as novel antithrombotic agents

  摘要：

  The P2Y(1) and P2Y(12) purinergic receptors are responsible for mediating adenosine diphosphate (ADP) dependent platelet aggregation. Evidence from P2Y(1) knockout studies as well as from nucleotide-based small molecule P2Y(1) antagonists has suggested that the antagonism of this receptor may offer a novel and effective method for the treatment of thrombotic disorders. Herein, we report the identification and optimization of a series of non-nucleotide P2Y(1) antagonists that are potent and orally bioavailable. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.028
• 作为产物：
  描述：

  2-氯苯肼盐酸盐 、 乙氧基甲叉丙二酸二乙酯 在 potassium carbonate 作用下， 以 乙醇 为溶剂， 反应 16.0h， 以75%的产率得到ethyl 2-(2-chlorophenyl)-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylate
  参考文献：
  名称：

  P2Y1 receptor antagonists as novel antithrombotic agents

  摘要：

  The P2Y(1) and P2Y(12) purinergic receptors are responsible for mediating adenosine diphosphate (ADP) dependent platelet aggregation. Evidence from P2Y(1) knockout studies as well as from nucleotide-based small molecule P2Y(1) antagonists has suggested that the antagonism of this receptor may offer a novel and effective method for the treatment of thrombotic disorders. Herein, we report the identification and optimization of a series of non-nucleotide P2Y(1) antagonists that are potent and orally bioavailable. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.04.028

文献信息

• [EN] FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES FUSIONNÉS ET LEUR UTILISATION
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2009136663A1

  公开（公告）日：2009-11-12

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强烈激酶抑制活性的融合杂环衍生物及其用途。本发明涉及本说明书中所定义的符号表示的化合物，或其盐。
• FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF
  申请人：Miyamoto Naoki

  公开号：US20110046169A1

  公开（公告）日：2011-02-24

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强大的激酶抑制活性的熔合杂环衍生物及其使用。本发明涉及一种由式子所表示的化合物，其中每个符号如本说明书中所定义的，或其盐。
• Fused heterocyclic derivatives and use thereof
  申请人：Miyamoto Naoki

  公开号：US08445509B2

  公开（公告）日：2013-05-21

  The present invention provides a fused heterocyclic derivative having a strong kinase inhibitory activity and use thereof. The present invention relates to a compound represented by the formula wherein each symbol is as defined in the present specification, or a salt thereof.

  本发明提供了一种具有强烈激酶抑制活性的融合杂环衍生物及其使用。本发明涉及一种由下式表示的化合物，其中每个符号如本说明书所定义，或其盐。
• US8445509B2
  申请人：——

  公开号：US8445509B2

  公开（公告）日：2013-05-21
• P2Y1 receptor antagonists as novel antithrombotic agents
  作者：Jeffrey A. Pfefferkorn、Chulho Choi、Thomas Winters、Robert Kennedy、Liguo Chi、Lisa A. Perrin、Gina Lu、Yun-Wen Ping、Tom McClanahan、Richard Schroeder、Michael T. Leininger、Andrew Geyer、Sabine Schefzick、James Atherton

  DOI：10.1016/j.bmcl.2008.04.028

  日期：2008.6

  The P2Y(1) and P2Y(12) purinergic receptors are responsible for mediating adenosine diphosphate (ADP) dependent platelet aggregation. Evidence from P2Y(1) knockout studies as well as from nucleotide-based small molecule P2Y(1) antagonists has suggested that the antagonism of this receptor may offer a novel and effective method for the treatment of thrombotic disorders. Herein, we report the identification and optimization of a series of non-nucleotide P2Y(1) antagonists that are potent and orally bioavailable. (C) 2008 Elsevier Ltd. All rights reserved.