替莫拉唑 | 57237-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 替莫拉唑
• 英文名称: timoprazole
• 英文别名: 2-[[(2-pyridinyl)methyl]sulfinyl]benzimidazole；2-(pyridin-2-ylmethylsulfinyl)-1H-benzimidazole
• CAS: 57237-97-5
• 化学式: C₁₃H₁₁N₃OS
• 分子量: 257.316
• InChiKey: HBDKFZNDMVLSHM-UHFFFAOYSA-N

物化性质

• 熔点：
  162-164 °C(Solv: acetonitrile (75-05-8))
• 沸点：
  540.3±52.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  77.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  替莫拉唑 以 溶剂黄146 为溶剂， 反应 24.0h， 以62.5%的产率得到bis(pyrido<1,2-c>imidazo<1,2-a>benzimidazol-5-yl) disulfide
  参考文献：
  名称：

  (H+-K+)-ATPase inhibiting 2-[(2-pyridylmethyl)sulfinyl]benzimidazoles. 2. The reaction cascade induced by treatment with acids. Formation of 5H-pyrido[1',2':4,5][1,2,4]thiadiazino[2,3-a]benzimidazol-13-ium salts and their reactions with thiols

  摘要：

  DOI：

  10.1021/jo00229a027
• 作为产物：
  描述：

  2-{[(pyridin-2-yl)methyl]thio}-1H-benzimidazole 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 氯仿 为溶剂， 反应 3.0h， 生成 替莫拉唑
  参考文献：
  名称：

  （H（+）-K +）-ATPase抑制胃酸分泌的研究。2-[（（2-吡啶基甲基）亚磺酰基]苯并咪唑质子泵抑制剂的前药。

  摘要：

  描述了N-取代的苯并咪唑（H（+）-K +）-ATPase或质子泵抑制剂的合成。制备这些化合物以充当母体NH化合物的前药，并评估它们抑制胃（H（+）-K +）-ATP酶和胃酸分泌的能力。报道的前药依赖于体内酯酶水解来释放母体化合物（I型和II型），或者需要酸性环境释放活性药物（III型和IV型）。与它们的母体NH化合物相比，N-（酰氧基）烷基取代的苯并咪唑9、11和24在固态和水溶液中显示出改进的化学稳定性。口服时，在Shay大鼠和大鼠胃（H（+）-K +）-ATPase失活中，24的效力是奥美拉唑的两倍。发现N-乙氧基-1-乙基取代的苯并咪唑48-50与抑制大鼠（H（+）-K +）-ATPase活性的NH化合物一样有效。在Shay大鼠中，浓度为10 mg / kg的48的活性约为母体替莫拉唑的两倍。

  DOI：

  10.1021/jm00107a026

文献信息

• MGluR5 modulators VI
  申请人：Isaac Methvin

  公开号：US20070259895A1

  公开（公告）日：2007-11-08

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新化合物，以及用于它们制备的方法，它们在治疗中的应用以及包含这些新化合物的药物组合物。
• Nitrosated proton pump inhibitors, compositions and methods of use
  申请人：NitroMed, Inc.

  公开号：US20040024014A1

  公开（公告）日：2004-02-05

  The invention describes novel nitrosated proton pump inhibitor compounds and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated proton pump inhibitor compound, and, optionally, at least one compound that donates, transfers or releases nitric oxide, stimulates endogenous synthesis of nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor or is a substrate for nitric oxide synthase, and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one nitrosated proton pump inhibitor compound, and at least one compound that donates, transfers or releases nitric oxide, elevates endogenous levels of endothelium-derived relaxing factor, stimulates endogenous synthesis of nitric oxide or is a substrate for nitric oxide synthase and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one nitrosated proton pump inhibitor compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating gastrointestinal disorders; facilitating ulcer healing; decreasing the recurrence of ulcers; improving gastroprotective properties, anti- Helicobacter pylori properties or antacid properties of proton pump inhibitors; decreasing or reducing the gastrointestinal toxicity associated with the use of nonsteroidal antiinflammatory compounds; treating bacterial infections and/or viral infections.

  该发明描述了新颖的亚硝化质子泵抑制剂化合物及其药用盐，以及包含至少一种亚硝化质子泵抑制剂化合物的新型组合物，以及可选地，至少一种捐赠、转移或释放一氧化氮、刺激内源性一氧化氮合成、提高内源性内皮源性舒张因子水平或是一氧化氮合酶底物的化合物，和/或至少一种治疗剂。该发明还提供了包含至少一种亚硝化质子泵抑制剂化合物和至少一种捐赠、转移或释放一氧化氮、提高内源性内皮源性舒张因子水平、刺激内源性一氧化氮合成或是一氧化氮合酶底物和/或至少一种治疗剂的新型组合物。该发明还提供了包含至少一种亚硝化质子泵抑制剂化合物，可选地至少一种一氧化氮供体和/或至少一种治疗剂的新型套装。该发明还提供了治疗胃肠道疾病的方法；促进溃疡愈合；减少溃疡复发；改善质子泵抑制剂的胃保护性能、抗幽门螺杆菌性能或抗酸性能；减少或减轻与非甾体类抗炎化合物使用相关的胃肠毒性；治疗细菌感染和/或病毒感染。
• MGluR5 modulators V
  申请人：Wallberg Andreas

  公开号：US20070259860A1

  公开（公告）日：2007-11-08

  The present invention is directed to novel compounds, to a process for their preparation, their use in therapy and pharmaceutical compositions comprising the novel compounds.

  本发明涉及新化合物，以及用于它们制备的方法，它们在治疗中的应用以及包含这些新化合物的药物组合物。
• Nitrosated and nitrosylated diuretic compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20050059655A1

  公开（公告）日：2005-03-17

  The invention describes novel nitrosated and/or nitrosylated diuretic compounds or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated diuretic compound, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions and kits comprising at least one diuretic compound of the invention, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating conditions resulting from excessive water and/or electrolyte retention; (b) treating cardiovascular diseases; (c) treating renovascular diseases; (d) treating diabetes; (e) treating diseases resulting from oxidative stress; (f) treating endothelial dysfunctions; (g) treating diseases caused by endothelial dysfunctions; (h) treating cirrhosis; (j) treating pre-eclampsia; (k) treating osteoporosis; and (l) treating nephropathy.

  该发明描述了新颖的亚硝基化和/或亚硝酰化利尿化合物或其药用盐，以及包含至少一种亚硝基化和/或亚硝酰化利尿化合物的新型组合物，以及可选地至少一种一氧化氮供体和/或至少一种治疗剂。该发明还提供了包含该发明中至少一种利尿化合物的新型组合物和试剂盒，该利尿化合物可选择地亚硝基化和/或亚硝酰化，并且可选地至少一种一氧化氮供体化合物和/或至少一种治疗剂。该发明还提供了用于(a)治疗由于过多水分和/或电解贮留引起的疾病；(b)治疗心血管疾病；(c)治疗肾血管疾病；(d)治疗糖尿病；(e)治疗由氧化应激引起的疾病；(f)治疗内皮功能障碍；(g)治疗由内皮功能障碍引起的疾病；(h)治疗肝硬化；(j)治疗子痫前期；(k)治疗骨质疏松症；和(l)治疗肾病的方法。
• [EN] NOVEL PYRAZOLOPYRIMIDINES<br/>[FR] NOUVELLES PYRAZOLOPYRIMIDINES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2013144172A1

  公开（公告）日：2013-10-03

  This invention relates to novel pyrazolopyrimidines and their use as metabotropic glutamate receptor antagonists (mGlu5 receptor antagonists), pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of mGlu5 receptor mediated disorders.

  这项发明涉及新型吡唑吡咯嘧啶及其作为代谢型谷氨酸受体拮抗剂（mGlu5受体拮抗剂）的用途，包括含有这些化合物的药物组合物，以及将其用作治疗或改善mGlu5受体介导的疾病的药物的方法。