5-tetradecyl-oxy-2-thiophenecarboxylic acid | 62039-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: 5-tetradecyl-oxy-2-thiophenecarboxylic acid
• 英文别名: 5-tetradecyloxy-2-thiophenecarboxylic acid；5-(Tetradecyloxy)thiophene-2-carboxylic acid；5-tetradecoxythiophene-2-carboxylic acid
• CAS: 62039-55-8
• 化学式: C₁₉H₃₂O₃S
• 分子量: 340.527
• InChiKey: NSUPARSSJQCUOA-UHFFFAOYSA-N

物化性质

• 熔点：
  95-96 °C(Solv: hexane (110-54-3))
• 沸点：
  467.5±25.0 °C(Predicted)
• 密度：
  1.031±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.4
• 重原子数：
  23
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-tetradecyl-oxy-2-thiophenecarboxylic acid 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成 5-tetradecyloxy-2-thiophenecarboxylic acid sodium salt
  参考文献：
  名称：

  Hypolipidemic agents

  摘要：

  取代的噻吩羧酸和酯以及以下一般结构的药学上可接受的盐可用作降脂药物：##STR1##其中R从含有10到20个碳原子的直链或支链饱和碳氢链和含有10到20个碳原子和1到4个双键的直链或支链不饱和碳氢链中选择；R.sub.1从氢、含有1到6个碳原子的直链或支链较低烷基链、苄基、苯乙基、吡啶基甲基、含有3到6个碳原子的烷烃多基、1,2,3,4,5,6-环己烷六基和Z中选择；Z从##STR2##中选择；其中n是整数2或3；R.sub.2从含有1到4个碳原子的直链或支链较低烷基链和烷基羰基中选择，其中烷基部分含有1到4个碳原子且可能是直链或支链；R.sub.3从氢和含有1到4个碳原子的直链或支链较低烷基链中选择，但当R.sub.3为氢时，R.sub.2为烷基羰基；或当R.sub.2不是烷基羰基时，R.sub.2和R.sub.3与各自连接的氮原子一起形成从吡咯烷基、哌啶基、吗啉基和哌嗪基中选择的单环杂环基；或##STR3##其中整数m和p的总和等于3到5；且R.sub.4为含有1到4个碳原子的直链或支链较低烷基链；X为1到6的整数，但当R.sub.1为烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于2到6，而当R.sub.1不是烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于1。

  公开号：

  US04017514A1
• 作为产物：
  描述：

  2-氯噻吩-5-甲酸 、 十四醇 以 5,5-dimethyl-1,3-cyclohexadiene 为溶剂， 生成 5-tetradecyl-oxy-2-thiophenecarboxylic acid
  参考文献：
  名称：

  Hypolipidemic agents

  摘要：

  取代的噻吩羧酸和酯以及以下一般结构的药学上可接受的盐可用作降脂药物：##STR1##其中R从含有10到20个碳原子的直链或支链饱和碳氢链和含有10到20个碳原子和1到4个双键的直链或支链不饱和碳氢链中选择；R.sub.1从氢、含有1到6个碳原子的直链或支链较低烷基链、苄基、苯乙基、吡啶基甲基、含有3到6个碳原子的烷烃多基、1,2,3,4,5,6-环己烷六基和Z中选择；Z从##STR2##中选择；其中n是整数2或3；R.sub.2从含有1到4个碳原子的直链或支链较低烷基链和烷基羰基中选择，其中烷基部分含有1到4个碳原子且可能是直链或支链；R.sub.3从氢和含有1到4个碳原子的直链或支链较低烷基链中选择，但当R.sub.3为氢时，R.sub.2为烷基羰基；或当R.sub.2不是烷基羰基时，R.sub.2和R.sub.3与各自连接的氮原子一起形成从吡咯烷基、哌啶基、吗啉基和哌嗪基中选择的单环杂环基；或##STR3##其中整数m和p的总和等于3到5；且R.sub.4为含有1到4个碳原子的直链或支链较低烷基链；X为1到6的整数，但当R.sub.1为烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于2到6，而当R.sub.1不是烷烃多基或1,2,3,4,5,6-环己烷六基时，X等于1。

  公开号：

  US04017514A1

文献信息

• Substituted thiophenecarboxylic acid and esters as hypolipidemic agents
  申请人：Richardson-Merrell Inc.

  公开号：US04011333A1

  公开（公告）日：1977-03-08

  Substituted thiophenecarboxylic acid and esters and pharmaceutically acceptable salts thereof of the following general structure are useful as hypolipidemic agents: ##STR1## wherein Y is selected from oxygen and divalent sulfur; R is selected from a straight or branched saturated hydrocarbon chain of from 10 to 20 carbon atoms and a straight or branched unsaturated hydrocarbon chain containing from 10 to 20 carbon atoms and from 1 to 4 double bonds; R.sub.1 is selected from hydrogen, a straight or branched lower alkyl group of from 1 to 6 carbon atoms, benzyl, phenethyl, alkane-poly-yl containing from 3 to 6 carbon atoms, and 1,2,3,4,5,6-cyclohexanehexayl; X is an integer of from 1 to 6 with the proviso that when R.sub.1 is alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to from 2 to 6, and when R.sub.1 is other than alkane-poly-yl or 1,2,3,4,5,6-cyclohexanehexayl, X is equal to 1.

  以下一般结构的硫代苯甲酸和酯及其药用可接受的盐可用作降脂药物： ##STR1## 其中Y从氧和二价硫中选择；R从由10到20个碳原子组成的直链或支链饱和碳氢链和由10到20个碳原子和1到4个双键组成的直链或支链不饱和碳氢链中选择；R.sub.1从氢、由1到6个碳原子组成的直链或支链低碳烷基、苄基、苯乙基、含有3到6个碳原子的烷基聚基和1,2,3,4,5,6-环己烷六基中选择；X是一个从1到6的整数，但当R.sub.1是烷基聚基或1,2,3,4,5,6-环己烷六基时，X等于2到6，当R.sub.1不是烷基聚基或1,2,3,4,5,6-环己烷六基时，X等于1。
• Treatment of viral infections by modulation of host cell metabolic pathways
  申请人：THE TRUSTEES OF PRINCETON UNIVERSITY

  公开号：EP2581081A2

  公开（公告）日：2013-04-17

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in "suicide" of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models.; Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了病毒感染时某些代谢物浓度和通量的变化。所涉及的代谢途径中的宿主细胞酶被选为干预目标；即恢复代谢通量以不利于病毒复制，或进一步改变代谢通量导致病毒感染细胞（而非未感染细胞）"自杀 "以限制病毒传播。虽然可以选择相关代谢途径中的任何一种酶，但这些代谢途径关键控制点上的关键酶更适合作为候选的抗病毒药物靶点。这些酶的抑制剂可用于逆转或重定向病毒感染的影响。候选药物通过体外和宿主细胞以及动物模型中的筛选试验进行抗病毒活性测试；然后用动物模型测试候选化合物在预防和治疗病毒感染方面的疗效。展示酶抑制剂的抗病毒活性。
• ANTI-VIRAL COMBINATION THERAPY
  申请人：KOYUNCU Emre

  公开号：US20150139949A1

  公开（公告）日：2015-05-21

  The present invention provides methods and compounds for treating viral infections using combinations modulators of an HCV-associated component and modulators of host cell enzymes. The present invention also provides methods and compounds for treating viral infections using combinations of modulators of host cell enzymes and other agents that work, at least in part by modulating hos factors.
• TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS
  申请人：The Trustees of Princeton University

  公开号：US20160346309A1

  公开（公告）日：2016-12-01

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.
• US4011333A
  申请人：——

  公开号：US4011333A

  公开（公告）日：1977-03-08