(E)-4-ethyl-2-[E-hydroxyimino]-5-nitro-3-hexenamide | 138472-01-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (E)-4-ethyl-2-[E-hydroxyimino]-5-nitro-3-hexenamide
• 英文别名: (+/-)-(E)-ethyl-2-<(E)-hydroxyiino>-5-nitro-3-hexenamide；1-(±)-(E)-4-ethyl-2-[(E)-hydroxyimino]-5-nitro-3-hexenamide；(+/-)-(E)-4-Ethyl-2-[(E)-hydroxyimino]-5-nitro-3-hexenamide；(+/-)-(E)-ethyl-2-[(E)-hydroxyimino]-5-nitro-3-hexenamide；(+/-)-4-ethyl-2E-(hydroxyimino)-5-nitro-3E-hexenamide；(+/-)-E-4-ethyl-2-[E-hydroxyimino]-5-nitrohexamide；(E,2E)-4-ethyl-2-hydroxyimino-5-nitrohex-3-enamide
• CAS: 138472-01-2；139675-83-5；139675-84-6
• 化学式: C₈H₁₃N₃O₄
• 分子量: 215.209
• InChiKey: MZAGXDHQGXUDDX-AGLLBGTNSA-N

物化性质

• 溶解度：
  DMF：>34mg/mL； DMSO：>20mg/mL；乙醇：>36mg/mL； PBS pH 7.2：>2.2 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  5

安全信息

• 危险品标志：
  T
• 危险类别码：
  R25
• 危险品运输编号：
  UN 2811 6.1 / PGIII
• WGK Germany：
  3
• 安全说明：
  S45
• 危险标志：
  GHS06
• 危险性描述：
  H301
• 危险性防范说明：
  P301 + P310

反应信息

• 作为反应物：
  描述：

  (E)-4-ethyl-2-[E-hydroxyimino]-5-nitro-3-hexenamide 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 (E)-4-ethyl-2-methoxyimino-5-nitro-3-hexenamide
  参考文献：
  名称：

  Nitro aliphatic compounds, process for preparation thereof and use

  摘要：

  新的硝基脂肪化合物及其药用可接受的盐已被披露。

  公开号：

  US04767768A1
• 作为产物：
  描述：

  (2E,4E)-4-乙基己-2,4-二烯酰胺 在 sodium nitrite 作用下， 以 甲醇 为溶剂， 生成 (E)-4-ethyl-2-[E-hydroxyimino]-5-nitro-3-hexenamide
  参考文献：
  名称：

  Nitro aliphatic compounds, process for preparation thereof and use

  摘要：

  新的硝基脂肪化合物及其药用可接受的盐已被披露。

  公开号：

  US04767768A1

文献信息

• Process for producing an aliphatic amide and salts thereof
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US05254733A1

  公开（公告）日：1993-10-19

  The present invention relates to a process for producing (.+-.)-(E)-4-ethyl-2-[E-hydroxyimino]-5-nitro-3-hexenamide.

  本发明涉及一种生产(.+-.)-(E)-4-乙基-2-[E-羟基亚胺]-5-硝基-3-己烯酰胺的方法。
• METHOD FOR SCREENING OF CELL-PROTECTING AGENT
  申请人：Kimura Haruhide

  公开号：US20100279311A1

  公开（公告）日：2010-11-04

  The invention provides a screening method and screening kit for a cell protecting agent. Specifically, the invention provides a method for screening a cell protecting agent showing an Hsp90-binding activity and a heat shock protein expression-inducing activity but having no Hsp90 client protein degradation-promoting activity. The method comprises the following steps (1) to (3): (1) measuring the binding property of a test compound to Hsp90; (2) measuring the activity of a test compound to induce the expression of a heat shock protein, or measuring the activity of a test compound to disrupt an Hsp90/HSF-1 complex, by using a cell capable of expressing the heat shock protein; and (3) measuring the activity of a test compound to induce the degradation of an Hsp90 client protein by using a cell capable of expressing the Hsp90 client protein. The invention further provides specifically a kit for screening a cell protecting agent, comprising (1) Hsp90; (2) a reagent for measuring the heat shock protein expression-inducing activity; (3) an imidazothiazine derivative; and (4) a reagent for quantifying an Hsp90 client protein.

  本发明提供了一种细胞保护剂的筛选方法和筛选试剂盒。具体而言，本发明提供了一种筛选细胞保护剂的方法，该方法显示出Hsp90结合活性和热休克蛋白表达诱导活性，但没有Hsp90客户蛋白降解促进活性。该方法包括以下步骤（1）至（3）：（1）测量试验化合物与Hsp90的结合性质；（2）利用能够表达热休克蛋白的细胞，测量试验化合物诱导热休克蛋白表达的活性，或测量试验化合物破坏Hsp90/HSF-1复合物的活性；（3）利用能够表达Hsp90客户蛋白的细胞，测量试验化合物诱导Hsp90客户蛋白降解的活性。本发明进一步具体提供了一种用于筛选细胞保护剂的试剂盒，包括（1）Hsp90；（2）用于测量热休克蛋白表达诱导活性的试剂；（3）咪唑噻唑啉衍生物；以及（4）用于定量Hsp90客户蛋白的试剂。
• Stabilizer for 4-ethyl-2-hydroxyimino5-nitro-3-hexenamide-containing preparation and stabilizing method therefor
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0452697A1

  公开（公告）日：1991-10-23

  A stabilizer for 4-ethyl-2-hydroxyimino-5-nitro-3-hexenamide represented by the following chemical formula (I) or a salt thereof acceptable as drug or drug containing as pharmacologically active ingredient a compound represented by a chemical formula (I) , in particular, (± )-(E)-4-ethyl-2-[(E)-hydroxyimino]-5-nitro-3-hexenamide or salt/s thereof acceptable as drugs, a stabilizing method by the use thereof and drugs containing such stabilizer and stabilized thereby.

  以下化学式(I)代表的4-乙基-2-羟基亚氨基-5-硝基-3-己烯酰胺或其盐的稳定剂，可作为药物或含有化学式(I)代表的化合物作为药理活性成分的药物，特别是(±)-(E)-4-乙基-2-[(E)-羟基亚氨基]-5-硝基-3-己烯酰胺或其盐/可作为药物的稳定剂，使用这种稳定剂的稳定方法以及含有这种稳定剂并因此得到稳定的药物。
• INHIBITOR FOR BLOOD VESSEL HYPERTROPHY
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0600085A1

  公开（公告）日：1994-06-08

  An inhibitor for blood vessel hypertrophy containing a compound represented by formula (I) or a pharmaceutically acceptable salt thereof as an active ingredient and having an excellent drug efficacy.

  一种血管肥大抑制剂，其活性成分含有式（I）代表的化合物或其药学上可接受的盐，具有极佳的药效。
• NEUROTROPHIC FACTOR SECRETION PROMOTERS
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1050309A1

  公开（公告）日：2000-11-08

  The present invention relates to a neurotrophic factor secretagogue, in particular, to a BDNF (brain-derived neurotrophic factor) secretagogue, which comprises as an active ingredient an NO donor. The medicament of the present invention promotes the secretion of neurotrophic factors from mammalian central neural cells. Thus, the medicament of the present invention, i.e., NO donor, is possibly applicable to the treatment of diseases caused by neutrotrophic factors, for example, neurodegenerative diseases, and is expected to exhibit the efficacious effects thereon. Also, the present invention provides a novel medication for neurodegenerative diseases.

  本发明涉及一种神经营养因子分泌物，特别是一种 BDNF（脑源性神经营养因子）分泌物，其活性成分包括 NO 供体。本发明的药物可促进哺乳动物中枢神经细胞分泌神经营养因子。因此，本发明的药物（即 NO 供体）可能适用于治疗由中性营养因子引起的疾病，例如神经退行性疾病，并有望在这方面发挥有效作用。此外，本发明还提供了一种治疗神经退行性疾病的新型药物。