3-nitroxypropylammonium nitrate

• 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: 3-nitroxypropylammonium nitrate
• 英文别名: 3-(nitrooxy)propylamine nitric acid salt；3-(nitrooxypropyl)amine nitrate；2-(nitrooxy)propylamonium nitrate；N-(3-nitrooxypropyl)-amine nitrate；3-amino-1-propanol nitrate nitrate；3-Nitroxypropylamine nitrate；3-aminopropyl nitrate;nitric acid
• 化学式: C₃H₈N₂O₃*HNO₃
• 分子量: 183.121
• InChiKey: PRXYGWCVUQFOOD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  147
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3-nitroxypropylammonium nitrate 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.17h， 生成 3-amino-1-propanol nitrate
  参考文献：
  名称：

  WO2006/99058

  摘要：

  公开号：
• 作为产物：
  描述：

  3-氨基-1-丙醇 在 硝酸 、 乙酸酐 作用下， 反应 2.0h， 以81%的产率得到3-nitroxypropylammonium nitrate
  参考文献：
  名称：

  一氧化氮供体作为COX-2抑制剂的新型二茂铁-吡唑衍生物的设计，合成和生物学评价

  摘要：

  设计，合成和生物学评估了一系列新的含一氧化氮供体作为COX-2抑制剂的二茂铁-吡唑衍生物。其中，化合物7升对COX-2（IC显示的最有效的抑制50  = 0.82μM）和针对Hela细胞的抗增殖活性（IC 50  = 0.34μM）塞来昔布进行比较（IC 50  = 0.38和7.91μM）。进一步的机理研究表明，7l可以通过线粒体去极化诱导Hela细胞凋亡，而7l的抗增殖活性与Hela细胞内细胞内NO释放水平呈正相关。最值得注意的是7公升可以显着抑制异种移植Hela细胞肿瘤模型中的肿瘤生长。总之，化合物7l可能是用于癌症治疗的有希望的候选物。

  DOI：

  10.1016/j.ejmech.2018.08.048

文献信息

• Nitric oxide enhancing diuretic compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20060189603A1

  公开（公告）日：2006-08-24

  The invention describes novel compositions and kits comprising at least one nitric oxide enhancing diuretic compound, or pharmaceutically acceptable salts thereof, and, optionally, at least one nitric oxide enhancing 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; (l) treating nephropathy; (m) treating peripheral vascular diseases; (n) treating portal hypertension; (o) treating central nervous system disorders; (p) treating metabolic syndrome; (q) treating sexual dysfunctions; and (r) hyperlipidemia. The nitric oxide enhancing diuretic compounds comprise at least one nitric oxide enhancing group linked to the diuretic compound through one or more sites such as carbon, oxygen and/or nitrogen via a bond or moiety that cannot be hydrolyzed.

  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。
• Nitrosated nonsteroidal antiinflammatory compounds, compositions and methods of use related applications
  申请人：NitroMed, Inc.

  公开号：US20040024057A1

  公开（公告）日：2004-02-05

  The invention describes novel nitrosated nonsteroidal antiinflammatory drugs (NSAIDs) and pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitrosated NSAID, 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 NSAID, 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 NSAID, and, optionally, at least one nitric oxide donor and/or at least one therapeutic agent. The invention also provides methods for treating inflammation, pain and fever; for treating gastrointestinal disorders; for facilitating wound healing; for treating and/or preventing gastrointestinal, renal and/or respiratory toxicities resulting from the use of nonsteroidal antiinflammatory compounds; for treating inflammatory disease states and/or disorders; and for treating and/or preventing ophthalmic diseases and/or disorders.

  该发明描述了新型亚硝化非甾体抗炎药（NSAIDs）及其药用盐，以及包含至少一种亚硝化NSAID的新型组合物，以及可选地，至少一种提供、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NSAID和至少一种提供、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NSAID，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试剂盒。该发明还提供了治疗炎症、疼痛和发热的方法；治疗胃肠道疾病的方法；促进伤口愈合的方法；治疗和/或预防由非甾体抗炎化合物使用引起的胃肠道、肾脏和/或呼吸道毒性的方法；治疗炎症性疾病状态和/或疾病的方法；以及治疗和/或预防眼科疾病和/或疾病的方法。
• Transformations of nitrates (nitro esters) of amino alcohols involving both functions. 1. Reaction with alkali metal hydrogen carbonates
  作者：A. G. Korepin、P. V. Galkin、N. M. Glushakova、E. K. Perepelkina、M. V. Loginova、V. P. Lodygina、Yu. A. Ol"khov,、L. T. Eremenko

  DOI：10.1023/b:rucb.0000011882.57315.97

  日期：2003.10

  The reaction of nitrates (nitro esters) of amino alcohols with alkali metal hydrogen carbonates yielding oxazolidin-2-ones and tetrahydro-1,3-oxazin-2-ones was discovered. A large number of both known and newly synthesized nitrates of amino alcohols with various structures were involved in this reaction, and the optimum reaction conditions were found. New oxazolidin-2-ones and tetrahydro-1,3-oxazin-2-ones

  发现氨基醇的硝酸盐（硝基酯）与碱金属碳酸氢盐反应生成恶唑烷-2-酮和四氢-1,3-恶嗪-2-酮。大量已知和新合成的各种结构的氨基醇的硝酸盐参与了该反应，并找到了最佳反应条件。合成了新的 oxazolidin-2-ones 和四氢-1,3-oxazin-2-ones。对于一些示例，还发现了另外两个转换。其中一个反应生成硝基氨基醇，而另一个反应生成聚合物。
• Nitric oxide enhancing angiotensin II antagonist compounds, compositions and methods of use
  申请人：Garvey S. David

  公开号：US20070032533A1

  公开（公告）日：2007-02-08

  The invention describes compositions and kits comprising at least one nitric oxide enhancing angiotensin II antagonist compound, or pharmaceutically acceptable salts thereof, and novel compositions comprising at least one nitric oxide enhancing angiotensin II antagonist compound, and, optionally, at least one nitric oxide enhancing compound 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; (l) treating peripheral vascular diseases; (m) treating portal hypertension (o) treating central nervous system disorders; (p) treating metabolic syndrome; and (q) treating hyperlipidemia. The nitric oxide enhancing angiotensin II antagonist compounds comprise at least one nitric oxide enhancing group linked to the angiotensin II antagonist compound through one or more sites such as carbon, oxygen and/or nitrogen via a bond or moiety that cannot be hydrolyzed.

  该发明描述了包含至少一种一氧化氮增强的血管紧张素II拮抗剂化合物或其药用盐的组合物和试剂盒，以及包含至少一种一氧化氮增强的血管紧张素II拮抗剂化合物的新型组合物，还可以包含至少一种一氧化氮增强化合物和/或至少一种治疗剂。该发明还提供了用于(a)治疗心血管疾病；(b)治疗肾血管疾病；(c)治疗糖尿病；(d)治疗由氧化应激导致的疾病；(e)治疗内皮功能障碍；(f)治疗由内皮功能障碍引起的疾病；(g)治疗肝硬化；(h)治疗子痫前症；(j)治疗骨质疏松症；(k)治疗肾病；(l)治疗外周血管疾病；(m)治疗门静脉高压症；(o)治疗中枢神经系统疾病；(p)治疗代谢综合征；和(q)治疗高脂血症的方法。一氧化氮增强的血管紧张素II拮抗剂化合物包括至少一种一氧化氮增强基团，通过碳、氧和/或氮等一个或多个位点与血管紧张素II拮抗剂化合物连接，连接方式是通过一种不能水解的键或基团。
• Cyanomidines. I. Synthesis and Vasodilatory Activity of N-Substituted Heteroaromatic Cyanoamidines.
  作者：Tatsuo NAKAJIMA、Toshio IZAWA、Tomoko KASHIWABARA、Shohachi NAKAJIMA、Yuuji MUNEZUKA

  DOI：10.1248/cpb.42.2475

  日期：——

  Various heteroaromatic cyanoamidines were synthesized starting from nitriles via cyanoimidates or from amides via thioamides. The compounds were tested for inhibitory effect on the 40 mM K+-induced contraction of rat aorta strips and selected compounds were also evaluated for antagonism of the norepinephrine-induced contraction. Most of the cyanoamidines showed vasodilatory activities. Potent vasoactive compounds were also examined for stimulation of the 86Rb+ efflux to determine their potassium channel opening actions. Maximum potency was displayed by N-cyano-N'-(2-nitroxyethyl)-3-pyridinecarboxyamidine (3h). The methanesulfonate of 3h, which was designated as KRN2391, has been selected for further development as an antianginal agent.

  各种异芳香氰基脲被合成，起始材料为腈，经过氰基咪唑或从酰胺经过硫酰胺。对这些化合物进行了抑制实验，以测试它们对40 mM K+诱导的大鼠主动脉条收缩的影响，同时还评估了选定化合物对去甲肾上腺素诱导的收缩的拮抗作用。大多数氰基脲表现出血管扩张活性。还对强效血管活性化合物进行了86Rb+外流的刺激实验，以确定它们的钾通道开放作用。N-氰基-N'-(2-硝氧基乙基)-3-吡啶羧基脲（3h）显示出最大的效力。3h的甲烷磺酸盐，命名为KRN2391，被选中进一步开发作为抗心绞痛药物。