5-hydroxypentane-1, 2-diyl dinitrate | 849139-06-6

• 分子结构分类: 有机化合物 - 有机氧化合物 - 有机含氧阴离子化合物
• 英文名称: 5-hydroxypentane-1, 2-diyl dinitrate
• 英文别名: 4,5,-bis(nitrooxy)pentyl alcohol；4,5-bis(nitrooxy)pentan-1-ol；4,5-Bis(nitrooxy)pentyl alcohol；(5-hydroxy-1-nitrooxypentan-2-yl) nitrate
• CAS: 849139-06-6
• 化学式: C₅H₁₀N₂O₇
• 分子量: 210.144
• InChiKey: YIKBPQXUVMZKQC-UHFFFAOYSA-N

物化性质

• 沸点：
  317.1±32.0 °C(Predicted)
• 密度：
  1.427±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  130
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-hydroxypentane-1, 2-diyl dinitrate 在 Jones reagent 作用下， 以 丙酮 为溶剂， 反应 0.5h， 以98%的产率得到4,5-dinitroxypentanoic acid
  参考文献：
  名称：

  Nitric oxide enhancing diuretic compounds, compositions and methods of use

  摘要：

  该发明描述了包含至少一种增强一氧化氮利尿化合物或其药用盐的新型组合物和试剂盒，以及可选地，至少一种增强一氧化氮化合物和/或至少一种治疗剂的试剂盒。该发明还提供了以下方法：(a)治疗由过多水分和/或电解贮留引起的症状；(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；(l)治疗肾病；(m)治疗外周血管疾病；(n)治疗门静脉高压；(o)治疗中枢神经系统疾病；(p)治疗代谢综合征；(q)治疗性功能障碍；以及(r)高脂血症。增强一氧化氮利尿化合物包括至少一种增强一氧化氮基团，通过碳、氧和/或氮等一个或多个位点与利尿化合物连接，连接通过不能水解的键或基团。

  公开号：

  US20060189603A1
• 作为产物：
  描述：

  4-戊烯-1-醇 在 4-二甲氨基吡啶 、 四氧化锇 、 氢氟酸 、 硝酸 、 乙酸酐 、 三乙胺 作用下， 以 二氯甲烷 、 水 、 乙酸乙酯 、 丙酮 、 乙腈 为溶剂， 反应 5.17h， 生成 5-hydroxypentane-1, 2-diyl dinitrate
  参考文献：
  名称：

  [EN] NITROSATED GLUTAMIC ACID COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  [FR] COMPOSES D'ACIDE GLUTAMIQUE NITROSES, LEURS COMPOSITIONS ET PROCEDES D'UTILISATION

  摘要：

  公开号：

  WO2005030135A3

文献信息

• [EN] NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS<br/>[FR] PROMEDICAMENTS LIBERANT DE L'OXYDE NITRIQUE DE DIARYL-2-(5H)-FURANONES UTILISES EN TANT QU'INHIBITEURS DE CYCLOOXYGENASE-2
  申请人：MERCK FROSST CANADA INC

  公开号：WO2005070874A1

  公开（公告）日：2005-08-04

  The invention encompasses novel compounds of Formula I, which are nitric oxide-releasing prodrugs of diaryl-2-(5H) furanones useful in the treatment of cyclooxygenase-2 mediated diseases. Formula (I). The invention also encompasses certain pharmaceutical compositions and methods for treating cyclooxygenease-2 mediated diseases comprising the use of compounds of Formula I. The above compounds may be used as a combination therapy with low-dose aspirin to treat chronic cyclooxygenase-2 mediated diseases or conditions while also reducing the risk of thrombotic cardiovascular events.

  该发明涵盖了一种新颖的Formula I化合物，这些化合物是一种硝化氧释放前药，可用于治疗环氧合酶-2介导的疾病。该发明还涵盖了某些药物组合和治疗环氧合酶-2介导疾病的方法，包括使用Formula I化合物。上述化合物可作为低剂量阿司匹林的联合疗法，用于治疗慢性环氧合酶-2介导的疾病或症状，同时降低血栓性心血管事件的风险。
• [EN] COMBINATION THERAPY FOR TREATING CYCLOOXYGENASE-2 MEDIATED DISEASES OR CONDITIONS IN PATIENTS AT RISK OF THROMBOTIC CARDIOVASCULAR EVENTS<br/>[FR] THERAPIE DE COMBINAISON PERMETTANT DE TRAITER DES MALADIES OU DES ETATS INDUITS PAR LA CYCLOOXYGENASE-2 CHEZ DES PATIENTS PRESENTANT UN RISQUE D'EVENEMENTS CARDIO-VASCULAIRES THROMBOTIQUES
  申请人：MERCK FROSST CANADA INC

  公开号：WO2005070868A1

  公开（公告）日：2005-08-04

  The invention is directed to a method for treating a cyclooxygenase-2 mediated disease or condition in a mammalian patient at risk of a thrombotic cardiovascular event, wherein the patient is on aspirin therapy to reduce the risk of the thrombotic cardiovascular event, comprising orally concomitantly or sequentially administering to the patient a cyclooxygenase-2 selective inhibitor in an amount effective to treat the cyclooxygenase-2 mediate disease or condition, and a nitric oxide donating compound in accordance with Formula (I) or a pharmaceutically acceptable salt thereof, wherein the nitric oxide donating compound is administered in an amount effective to reduce the gastrointestinal toxicity caused by the combination of the cyclooxygenase-2 selective inhibitor and aspirin. Pharmaceutical compositions are also encompassed.

  该发明涉及一种用于治疗哺乳动物患者中风险患血栓性心血管事件的环氧合酶-2介导的疾病或症状的方法，其中患者正在接受阿司匹林治疗以减少发生血栓性心血管事件的风险，包括口服同时或顺序给患者一种环氧合酶-2选择性抑制剂，其剂量有效地治疗环氧合酶-2介导的疾病或症状，并按照公式(I)或其药学上可接受的盐给患者同时或顺序给予一种一氧化氮给予化合物，其中一氧化氮给予化合物的剂量有效地减少由环氧合酶-2选择性抑制剂和阿司匹林的组合引起的胃肠毒性。此外，还包括药物组合物。
• [EN] NITRIC OXIDE RELEASING PRODRUGS OF DIARYL-2-(5H)-FURANONES AS CYCLOOXYGENASE-2 INHIBITORS<br/>[FR] PROMEDICAMENTS DE DIARYL-2-(5H)-FURANONES LIBERANT DE L'OXYDE NITRIQUE UTILISES COMME INHIBITEURS DE LA CYCLOOXYGENASE-2
  申请人：MERCK FROSST CANADA INC

  公开号：WO2005070883A1

  公开（公告）日：2005-08-04

  The invention encompasses novel compounds of Formula I, which are nitric oxide-releasing prodrugs of diaryl-2-(5H)-furanones useful in the treatment of cyclooxygenase-2 mediated diseases. Formula (I). The invention also encompasses certain pharmaceutical compositions and methods for treating cyclooxygenase-2 mediated diseases comprising the use of compounds of Formula 1. The above compounds may be used as a combination therapy with low-dose aspirin to treat chronic cyclooxygenase-2 mediated diseases or conditions while also reducing the risk of thrombotic cardiovascular events.

  本发明涵盖了公式I的新化合物，它们是二芳基-2-(5H)-呋喃酮的一氧化氮释放前药，可用于治疗环氧合酶-2介导的疾病。公式（I）。本发明还涵盖了某些药物组合和方法，用于治疗环氧合酶-2介导的疾病，包括使用公式1的化合物。上述化合物可以与低剂量阿司匹林组合治疗慢性环氧合酶-2介导的疾病或病况，同时降低血栓性心血管事件的风险。
• Nitric Oxide Releasing Prodrugs of Diaryl-2-(5h)-Furanones as Cyclooxygenase-2 Inhibitors
  申请人：Berthelette Carl

  公开号：US20080227758A1

  公开（公告）日：2008-09-18

  The invention encompasses novel compounds of Formula I, which are nitric oxide-releasing prodrugs of diaryl-2-(5H) furanones useful in the treatment of cyclooxygenase-2 mediated diseases. The invention also encompasses certain pharmaceutical compositions and methods for treating cyclooxygenase-2 mediated diseases comprising the use of compounds of Formula I. The above compounds may be used as a combination therapy with low-dose aspirin to treat chronic cyclooxygenase-2 mediated diseases or conditions while also reducing the risk of thrombotic cardiovascular events.

  本发明涵盖了一种公式I的新化合物，它们是二芳基-2-(5H)呋喃酮的一氧化氮释放前药，可用于治疗环氧化酶-2介导的疾病。本发明还涵盖了某些药物组合和方法，用于治疗环氧化酶-2介导的疾病，包括使用公式I的化合物。上述化合物可与低剂量阿司匹林联合使用，以治疗慢性环氧化酶-2介导的疾病或病状，同时降低血栓性心血管事件的风险。
• Combination Therapy for Treating Cyclooxygenase-2 Mediated Diseases or Conditions in Patients at Risk of Thrombotic Cardiovascular Events
  申请人：Dufresne Claude

  公开号：US20080242722A1

  公开（公告）日：2008-10-02

  The invention is directed to a method for treating a cyclooxygenase-2 mediated disease or condition in a mammalian patient at risk of a thrombotic cardiovascular event, wherein the patient is on aspirin therapy to reduce the risk of the thrombotic cardiovascular event, comprising orally concomitantly or sequentially administering to the patient a cyclooxygenase-2 selective inhibitor in an amount effective to treat the cyclooxygenase-2 mediate disease or condition, and a nitric oxide donating compound in accordance with Formula I or a pharmaceutically acceptable salt thereof, wherein the nitric oxide donating compound is administered in an amount effective to reduce the gastrointestinal toxicity caused by the combination of the cyclooxygenase-2 selective inhibitor and aspirin. Pharmaceutical compositions are also encompassed.

  本发明涉及一种治疗哺乳动物患有环氧合酶-2介导的疾病或病状的方法，该患者有心血管血栓事件的风险，并正在接受阿司匹林治疗以减少心血管血栓事件的风险，包括同时或顺序口服给予患者一种环氧合酶-2选择性抑制剂，其剂量足以治疗环氧合酶-2介导的疾病或病状，以及一种符合公式I或其药学上可接受的盐的一氧化氮供体，其中该一氧化氮供体的剂量足以减少环氧合酶-2选择性抑制剂和阿司匹林联合使用引起的胃肠道毒性。还包括制药组合物。