{5-[3-(4-Methoxycarbonylmethyl-thiophen-2-yl)-benzo[g]quinoxalin-2-yl]-thiophen-3-yl}-acetic acid methyl ester | 861883-51-4

• 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: {5-[3-(4-Methoxycarbonylmethyl-thiophen-2-yl)-benzo[g]quinoxalin-2-yl]-thiophen-3-yl}-acetic acid methyl ester
• 英文别名: methyl 2-[5-[3-[4-(2-methoxy-2-oxoethyl)thiophen-2-yl]benzo[g]quinoxalin-2-yl]thiophen-3-yl]acetate
• CAS: 861883-51-4
• 化学式: C₂₆H₂₀N₂O₄S₂
• 分子量: 488.588
• InChiKey: YTXYGLKAPGAMHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 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：

  {5-[3-(4-Methoxycarbonylmethyl-thiophen-2-yl)-benzo[g]quinoxalin-2-yl]-thiophen-3-yl}-acetic acid methyl ester 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 {5-[3-(4-Carboxymethyl-thiophen-2-yl)-benzo[g]quinoxalin-2-yl]-thiophen-3-yl}-acetic 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-噻吩乙酸 在 三氯化铝 、 氯化亚砜 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 8.0h， 生成 {5-[3-(4-Methoxycarbonylmethyl-thiophen-2-yl)-benzo[g]quinoxalin-2-yl]-thiophen-3-yl}-acetic 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

• 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.