3-(5-{3-[5-(2-Methoxycarbonyl-ethyl)-thiophen-2-yl]-benzo[g]quinoxalin-2-yl}-thiophen-2-yl)-propionic acid methyl ester | 476636-06-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(5-{3-[5-(2-Methoxycarbonyl-ethyl)-thiophen-2-yl]-benzo[g]quinoxalin-2-yl}-thiophen-2-yl)-propionic acid methyl ester
• 英文别名: methyl 3-[5-[3-[5-(3-methoxy-3-oxopropyl)thiophen-2-yl]benzo[g]quinoxalin-2-yl]thiophen-2-yl]propanoate
• CAS: 476636-06-3
• 化学式: C₂₈H₂₄N₂O₄S₂
• 分子量: 516.642
• InChiKey: OEPMPIDWJBJGGC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  135
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-(5-{3-[5-(2-Methoxycarbonyl-ethyl)-thiophen-2-yl]-benzo[g]quinoxalin-2-yl}-thiophen-2-yl)-propionic acid methyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 3-(5-{3-[5-(2-Carboxy-ethyl)-thiophen-2-yl]-benzo[g]quinoxalin-2-yl}-thiophen-2-yl)-propionic acid
  参考文献：
  名称：

  Synthesis of selective SRPK-1 inhibitors: Novel tricyclic quinoxaline derivatives

  摘要：

  SR protein-specific kinase-1 (SRPK-1) has been identified as a validated target for hepatitis B virus (HBV). A series of novel tricyclic quinoxaline derivatives was designed and synthesised as potential kinase inhibitory antiviral agents and was found to be active and selective for SRPK-1 kinase. Most of these novel compounds have drug-like properties according to experimentally determined Log P and Log S values. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.064
• 作为产物：
  描述：

  3-thiophen-2-ylpropionyl chloride 在 三氯化铝 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 3-(5-{3-[5-(2-Methoxycarbonyl-ethyl)-thiophen-2-yl]-benzo[g]quinoxalin-2-yl}-thiophen-2-yl)-propionic acid methyl ester
  参考文献：
  名称：

  Synthesis of selective SRPK-1 inhibitors: Novel tricyclic quinoxaline derivatives

  摘要：

  SR protein-specific kinase-1 (SRPK-1) has been identified as a validated target for hepatitis B virus (HBV). A series of novel tricyclic quinoxaline derivatives was designed and synthesised as potential kinase inhibitory antiviral agents and was found to be active and selective for SRPK-1 kinase. Most of these novel compounds have drug-like properties according to experimentally determined Log P and Log S values. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.04.064

文献信息

• [EN] BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES<br/>[FR] DERIVES DE LA BENZO[G]QUINOXALINE COMPOSES EFFICACES CONTRE LES MALADIES INFECTIEUSES
  申请人：AXXIMA PHARMACEUTICALS AG

  公开号：WO2002094796A2

  公开（公告）日：2002-11-28

  The present invention relates to benzo[g]quinoxaline derivatives of the general formula (I), processes for manufacturing said benzo[g]quinoxaline derivatives, the use of the benzo[g]quinoxaline derivatives as pharmaceutically active agents, especially for the prophylaxis and/or treatment of infectious diseases and opportunistic infections, diabetes, cancer, inflammation, as well as compositions containing at least one benzo[g]quinoxaline derivative and/or pharmaceutically acceptable salt thereof. Further, the present invention is directed to methods for preventing and/or treating of infectious diseases, diabetes, cancer, and inflammation using the inventive benzo[g]quinoxaline derivatives.
• Synthesis of selective SRPK-1 inhibitors: Novel tricyclic quinoxaline derivatives
  作者：Zsolt Székelyhidi、János Pató、Frigyes Wáczek、Péter Bánhegyi、Bálint Hegymegi-Barakonyi、Dániel Ero˝s、György Mészáros、Ferenc Hollósy、Doris Hafenbradl、Sabine Obert、Bert Klebl、György Kéri、László O˝rfi

  DOI：10.1016/j.bmcl.2005.04.064

  日期：2005.7

  SR protein-specific kinase-1 (SRPK-1) has been identified as a validated target for hepatitis B virus (HBV). A series of novel tricyclic quinoxaline derivatives was designed and synthesised as potential kinase inhibitory antiviral agents and was found to be active and selective for SRPK-1 kinase. Most of these novel compounds have drug-like properties according to experimentally determined Log P and Log S values. (c) 2005 Elsevier Ltd. All rights reserved.