3-mercapto-4-methoxy-benzoic acid ethyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-mercapto-4-methoxy-benzoic acid ethyl ester
• 英文别名: ethyl 4-methoxy-3-sulfanylbenzoate
• 化学式: C₁₀H₁₂O₃S
• 分子量: 212.269
• InChiKey: SCZJDJQYZAAQIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  36.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  一氯丙酮 、 3-mercapto-4-methoxy-benzoic acid ethyl ester 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 4-methoxy-3-(2-oxo-propylsulfanyl)-benzoic acid ethyl ester
  参考文献：
  名称：

  [EN] AUTOTAXIN INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE L'AUTOTAXINE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2012024620A3
• 作为产物：
  描述：

  3-溴-4-甲氧基苯甲酸 在 硫酸 potassium tert-butylate 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 反应 5.17h， 生成 3-mercapto-4-methoxy-benzoic acid ethyl ester
  参考文献：
  名称：

  [EN] AUTOTAXIN INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE L'AUTOTAXINE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2012024620A3

文献信息

• AUTOTAXIN INHIBITORS AND USES THEREOF
  申请人：Roppe Jeffrey Roger

  公开号：US20130150326A1

  公开（公告）日：2013-06-13

  Described herein are compounds that are inhibitors of autotaxin. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such inhibitors, alone and in combination with other compounds, for treating autotaxin-dependent or autotaxin-mediated conditions or diseases.

  本文介绍了一些抑制自体脂肪酶的化合物。还介绍了包括上述化合物的药物组合物和药物，以及使用这些抑制剂的方法，单独或与其他化合物结合，用于治疗依赖或介导自体脂肪酶的疾病或症状。
• Autotaxin inhibitors and uses thereof
  申请人：Roppe Jeffrey Roger

  公开号：US09000025B2

  公开（公告）日：2015-04-07

  Described herein are compounds that are inhibitors of autotaxin. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such inhibitors, alone and in combination with other compounds, for treating autotaxin-dependent or autotaxin-mediated conditions or diseases.

  本文描述了一些抑制自体荧光素酶的化合物。还描述了包括上述化合物的制药组合物和药物，以及使用这些抑制剂的方法，单独或与其他化合物联合治疗自体荧光素酶依赖性或自体荧光素酶介导的疾病或病情。
• Imidazole Inhibitors of Cytokine Release:  Probing Substituents in the 2 Position
  作者：Stefan A. Laufer、Hans-Günther Striegel、Gerd K. Wagner

  DOI：10.1021/jm020873z

  日期：2002.10.1

  Novel 2,4,5-trisubstituted imidazole derivatives were prepared as potential anticytokine agents. Thirty-seven compounds were tested on their ability to inhibit the release of tumor necrosis factor-a (TNF-alpha and interleukin-1beta (IL-beta) from peripheral blood mononuclear cells (PBMC) or human whole blood. SARs (structure activity relationships) for substituents-at the 4 and 5 position of the imidazole core were similar to those described for other inhibitors of cytokine. release and p38 MAP (mitogen-activated protein) kinase. Starting from benzylsulfanyl imidazole 2b (IC50 p(38), 4.0 muM; TNF-alpha, 1.1,muM; IL-1beta, 0.38,muM), the contribution of substituents at the 2 Position to enzyme inhibitory and cellular activity of test compounds was investigated. This strategy led to the identification of compound 2q (IC50 p38, 0.63 muM; TNF-alpha, 0.90 muM; IL-1beta, 0.04,muM), which was 6-10 times more potent than the initial lead 2b with respect to inhibition of p38 and IL-1beta release and equipotently inhibited TNF-alpha release.
• US9000025B2
  申请人：——

  公开号：US9000025B2

  公开（公告）日：2015-04-07
• US9849109B2
  申请人：——

  公开号：US9849109B2

  公开（公告）日：2017-12-26