{3-[(nitrooxy)methyl]phenyl}methyl 2-oxopropanoate | 857464-18-7

• 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-[(nitrooxy)methyl]phenyl}methyl 2-oxopropanoate
• 英文别名: [3-(Nitrooxymethyl)phenyl]methyl 2-oxopropanoate
• CAS: 857464-18-7
• 化学式: C₁₁H₁₁NO₆
• 分子量: 253.211
• InChiKey: SGRIWYWCVRDJIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  98.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  3-(nitrooxymethyl)benzyl alcohol 、 pyruvoyl chloride 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.08h， 以62%的产率得到{3-[(nitrooxy)methyl]phenyl}methyl 2-oxopropanoate
  参考文献：
  名称：

  Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use

  摘要：

  该发明描述了新颖的硝化和/或亚硝化丙酮酸盐及其药用可接受盐，以及包含至少一种硝化和/或亚硝化丙酮酸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丙酮酸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丙酮酸化合物的新型试剂盒，该丙酮酸化合物可选地硝化和/或亚硝化，以及可选地至少一种一氧化氮供体和/或至少一种治疗剂。该发明还提供了治疗由氧化应激、糖尿病、缺血后再灌注损伤、组织、器官、器官部分和/或肢体保护引起的疾病的方法。

  公开号：

  US20080287407A1

文献信息

• EP1692107A4
  申请人：——

  公开号：EP1692107A4

  公开（公告）日：2008-10-29
• NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE
  申请人：Nitromed, Inc.

  公开号：EP1692107A2

  公开（公告）日：2006-08-23
• [EN] NITRIC OXIDE RELEASING PYRUVATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSES DE PYRUVATE DE LIBERATION DE MONOXYDE D'AZOTE, COMPOSITIONS ET PROCEDES D'UTILISATION
  申请人：NITROMED INC

  公开号：WO2005060603A2

  公开（公告）日：2005-07-07

  The invention describes novel pyruvate compounds comprising at least one nitric oxide releasing group and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one pyruvate compound comprising at least one nitric oxide releasing group, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides novel compositions comprising at least one pyruvate compound and at least one nitric oxide donor compound and/or at least one therapeutic agent. The invention also provides novel kits comprising at least one pyruvate compound, that is optionally substituted with at least one nitric oxide releasing group, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; (k) treating nephropathy; (1) reperfusing injury following ischemia; and/or (m) preserving tissues, organs, organ parts and/or limbs. The nitric oxide releasing group is preferably a nitro group (i.e. N0.2.), a nitroso group (i.e. NO) and/or a heterocyclic nitric oxide donor group. The heterocyclic nitric oxide donor group is preferably a furoxan, a sydnonimine, an oxatriazole-5-one and/or an oxatriazole-5-imine.
• Nitric Oxide Releasing Pyruvate Compounds, Compositions and Methods of Use
  申请人：Garvey David S.

  公开号：US20080287407A1

  公开（公告）日：2008-11-20

  The invention describes novel nitrosated and/or nitrosylated pyruvate compounds and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated and/or nitrosylated pyruvate 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 pyruvate 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 pyruvate compound, that is optionally nitrosated and/or nitrosylated, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating diseases resulting from oxidative stress, diabetes, reperfusion injury following ischemia, preservation of tissues, organs, organ parts and/or limbs.

  该发明描述了新颖的硝化和/或亚硝化丙酮酸盐及其药用可接受盐，以及包含至少一种硝化和/或亚硝化丙酮酸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丙酮酸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丙酮酸化合物的新型试剂盒，该丙酮酸化合物可选地硝化和/或亚硝化，以及可选地至少一种一氧化氮供体和/或至少一种治疗剂。该发明还提供了治疗由氧化应激、糖尿病、缺血后再灌注损伤、组织、器官、器官部分和/或肢体保护引起的疾病的方法。