methyl 4-((4-pyridinylthio)methyl)benzoate | 82145-93-5

• 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: methyl 4-((4-pyridinylthio)methyl)benzoate
• 英文别名: 4-(pyridine-4-sulfanylmethyl)benzoic acid methyl ester；methyl 4-(pyridin-4-ylsulfanylmethyl)benzoate
• CAS: 82145-93-5
• 化学式: C₁₄H₁₃NO₂S
• mdl: MFCD24932138
• 分子量: 259.329
• InChiKey: FKCOXTXZQCLOMN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  64.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 4-((4-pyridinylthio)methyl)benzoate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 [4-(Pyridin-4-ylsulfanylmethyl)phenyl]methanol
  参考文献：
  名称：

  Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 2: 4-Thiopyridyl acetophenones as non-tetrazole containing mGlu2 receptor potentiators

  摘要：

  We have identified and synthesized a series of 4-thiopyridyl acetophenones as positive allosteric potentiators of the metabotropic glutamate receptor 2. Structure-activity relationship studies directed toward replacement of the tetrazole in the initial lead led to the discovery of 16 (EC50 = 340 nM), which showed improved brain penetration over the initial lead. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.028
• 作为产物：
  描述：

  吡啶-4(1H)-硫酮 、 4-溴甲基苯甲酸甲酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 生成 methyl 4-((4-pyridinylthio)methyl)benzoate
  参考文献：
  名称：

  Allosteric potentiators of the metabotropic glutamate receptor 2 (mGlu2). Part 2: 4-Thiopyridyl acetophenones as non-tetrazole containing mGlu2 receptor potentiators

  摘要：

  We have identified and synthesized a series of 4-thiopyridyl acetophenones as positive allosteric potentiators of the metabotropic glutamate receptor 2. Structure-activity relationship studies directed toward replacement of the tetrazole in the initial lead led to the discovery of 16 (EC50 = 340 nM), which showed improved brain penetration over the initial lead. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.09.028

文献信息

• [EN] alpha,beta-UNSATURATED HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS HISTONE DEACETYLASE INHIBITORS<br/>[FR] DERIVES D'ACIDE HYDROXAMIQUE DOLLAR G(A), DOLLAR G(B)-INSATURES ET LEUR UTILISATION COMME INHIBITEURS DE L'HISTONE DESACETYLASE
  申请人：SK CHEMICALS CO LTD

  公开号：WO2003087066A1

  公开（公告）日：2003-10-23

  Disclosed are agents that inhibit histone deacetylase. More specifically, the present invention relates to novel hydroxamic acid derivatives or pharmaceutically acceptable salts thereof for anticancer agents or other therapeutic agents based on their histone deacetylase inhibitory activity.

  揭示了抑制组蛋白去乙酰化酶的药剂。更具体地，本发明涉及新型羟基胺基酸衍生物或其药用盐，用作抗癌剂或其他治疗剂，基于它们对组蛋白去乙酰化酶的抑制活性。
• 4-(((Heterocyclo)thio)methyl)benzoic acids, esters and amides and their
  申请人：The Dow Chemical Co.

  公开号：US04409227A1

  公开（公告）日：1983-10-11

  4-(((Heterocyclo)thio)methyl)benzoic acids, esters, amides and pharmaceutically-acceptable salts thereof having hypoglycemic activity in mammals, including a method of use and pharmaceutically-acceptable compositions.

  4-(((杂环)硫)甲基)苯甲酸、酯、酰胺及其药学上可接受的盐具有哺乳动物降血糖活性，包括使用方法和药学上可接受的组合物。
• Alpha, beta-unsaturated hydroxamic acid derivatives and their use as histone deacetylase inhibitors
  申请人：Kim Dae-Kee

  公开号：US20050124679A1

  公开（公告）日：2005-06-09

  Disclosed are agents that inhibit histone deacetylase. More specifically, the present invention relates to novel hydroxamic acid derivatives or pharmaceutically acceptable salts thereof for anticancer agents or other therapeutic agents based on their histone deacetylase inhibitory activity.

  本发明揭示了一种抑制组蛋白去乙酰化酶的药剂。更具体地说，本发明涉及一种新型的羟酰胺衍生物或其药学上可接受的盐，用作抗癌剂或其他治疗剂，基于它们的组蛋白去乙酰化酶抑制活性。
• Hypoglycemic 4-(((1,3,4, thiadiazolyl)thio)methyl)benzoic acids, ester
  申请人：The Dow Chemical Company

  公开号：US04325959A1

  公开（公告）日：1982-04-20

  4-(((Heterocyclo)thio)methyl)benzoic acids, esters, amides and pharmaceutically-acceptable salts thereof having hypoglycemic activity in mammals, including a method of use and pharmaceutically-acceptable compositions.

  4-(((杂环硫)甲基)苯甲酸，酯，酰胺和药学上可接受的盐，具有哺乳动物低血糖活性，包括使用方法和药学上可接受的组合物。
• US4325959A
  申请人：——

  公开号：US4325959A

  公开（公告）日：1982-04-20