2-(4-methylthiazole-5-yl)ethyl nitrate hydrochloride | 1173928-02-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-methylthiazole-5-yl)ethyl nitrate hydrochloride
• 英文别名: GT-1061；4-Methyl-5-(2-(nitrooxy)ethyl)thiazol-3-ium chloride；2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethyl nitrate;chloride
• CAS: 1173928-02-3
• 化学式: C₆H₈N₂O₃S*ClH
• 分子量: 224.668
• InChiKey: AFJHNVYIRRYUJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.62
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  97.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-methylthiazole-5-yl)ethyl nitrate hydrochloride 在 碳酸氢钠 作用下， 以 乙醚 、 水 为溶剂， 生成 4-methyl-5-(β-nitroxyethyl)thiazole
  参考文献：
  名称：

  [EN] SALT COMPOUND
  [FR] COMPOSÉ DE SEL

  摘要：

  描述了一种盐化合物以及利用该盐化合物减轻神经退行性、实现神经保护和/或提高认知能力的方法。通过向受试者施用含硝酸酯的治疗性盐化合物的有效量来治疗神经或认知状况。

  公开号：

  WO2012027471A1
• 作为产物：
  描述：

  4-methyl-5-(β-nitroxyethyl)thiazole 在 乙酰氯 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 以96.1%的产率得到2-(4-methylthiazole-5-yl)ethyl nitrate hydrochloride
  参考文献：
  名称：

  硝酸2-（4-甲基噻唑-5-基）乙酯盐酸盐的制备 方法

  摘要：

  本发明提供了一种硝酸2‑(4‑甲基噻唑‑5‑基)乙酯盐酸盐的制备方法，其特征包括以下步骤：(1)以4‑甲基‑5‑(2‑羟乙基)噻唑为起始原料经硝化反应得到硝酸2‑(4‑甲基噻唑‑5‑基)乙酯；(2)硝酸2‑(4‑甲基噻唑‑5‑基)乙酯在溶剂中与盐酸反应制得硝酸2‑(4‑甲基噻唑‑5‑基)乙酯盐酸盐粗品；(3)对硝酸2‑(4‑甲基噻唑‑5‑基)乙酯盐酸盐粗品进行重结晶得到合格产品。本方法操作简便、反应条件温和、收率高、产品纯度好，适合大规模工业化生产。

  公开号：

  CN108239040B

文献信息

• 硝酸2-（4-甲基噻唑-5-基）乙酯盐酸盐的制备方法
  申请人：中国医学科学院药物研究所

  公开号：CN108239040A

  公开（公告）日：2018-07-03

  本发明提供了一种硝酸2‑(4‑甲基噻唑‑5‑基)乙酯盐酸盐的制备方法，其特征包括以下步骤：(1)以4‑甲基‑5‑(2‑羟乙基)噻唑为起始原料经硝化反应得到硝酸2‑(4‑甲基噻唑‑5‑基)乙酯；(2)硝酸2‑(4‑甲基噻唑‑5‑基)乙酯在溶剂中与盐酸反应制得硝酸2‑(4‑甲基噻唑‑5‑基)乙酯盐酸盐粗品；(3)对硝酸2‑(4‑甲基噻唑‑5‑基)乙酯盐酸盐粗品进行重结晶得到合格产品。本方法操作简便、反应条件温和、收率高、产品纯度好，适合大规模工业化生产。
• Isotopically modified components and therapeutic uses thereof
  申请人：RETROTOPE, INC.

  公开号：US11166930B2

  公开（公告）日：2021-11-09

  Methods are provided of identifying a subject having impaired aldehyde dehydrogenase activity; and administering to the subject a compound comprising an isotopically-modified polyunsaturated fatty acid, an isotopically-modified polyunsaturated fatty acid ester, an isotopically-modified polyunsaturated fatty acid thioester, an isotopically-modified polyunsaturated fatty acid amide, a polyunsaturated fatty acid mimetic, or an isotopically-modified polyunsaturated fatty acid pro-drug, the compound having an isotopic modification that reduces oxidation of the compound, thereby reducing production in the subject of substrate for aldehyde dehydrogenase. Some aspects provide coadministering an isotopically-modified polyunsaturated fatty acid and an oxylipin.

  提供了鉴定醛脱氢酶活性受损受试者的方法；向受试者施用一种化合物，该化合物包括同位素修饰的多不饱和脂肪酸、同位素修饰的多不饱和脂肪酸酯、同位素修饰的多不饱和脂肪酸硫酯、同位素修饰的多不饱和脂肪酸酰胺、多不饱和脂肪酸模拟物或同位素修饰的多不饱和脂肪酸原药，该化合物具有同位素修饰，可减少化合物的氧化，从而减少受试者体内醛脱氢酶底物的产生。某些方面提供了联合给药同位素修饰的多不饱和脂肪酸和氧脂素。
• THERAPIES FOR COGNITION AND LEARNING ENHANCEMENT
  申请人：GREEN Allan M.

  公开号：US20090252704A1

  公开（公告）日：2009-10-08

  The invention relates to a combination comprising an amount of an NO donor, such as ISDN, and/or an amount of another pharmaceutical agent that enhances neurotransmission or which acts as neuroprotectants such as memantine, clomethiazole and tacrine. These compositions can be used in producing cognition and learning enhancement, whereby the invention also provides for a new method of treatment of Alzheimer's disease and related neurodegenerative disorders.
• ISOTOPICALLY MODIFIED COMPONENTS AND THERAPEUTIC USES THEREOF
  申请人：RETROTOPE, INC.

  公开号：US20190282529A1

  公开（公告）日：2019-09-19

  Methods are provided of identifying a subject having impaired aldehyde dehydrogenase activity; and administering to the subject a compound comprising an isotopicaliy-modified polyunsaturated fatty acid, an isotopicaliy-modified polyunsaturated fatty acid ester, an isotopicaliy-modified polyunsaturated fatty acid thioester, an isotopicaliy-modified polyunsaturated fatty acid amide, a polyunsaturated fatty acid mimetic, or an isotopicaliy-modified polyunsaturated fatty acid pro-drug, the compound having an isotopic modification that reduces oxidation of the compound, thereby reducing production in the subject of substrate for aldehyde dehydrogenase. Some aspects provide coadministering an isotopicaliy-modified polyunsaturated fatty acid and an oxylipin.
• [EN] ISOTOPICALLY MODIFIED COMPONENTS AND THERAPEUTIC USES THEREOF<br/>[FR] COMPOSANTS MODIFIÉS AU PLAN ISOTOPIQUE ET UTILISATIONS THÉRAPEUTIQUES ASSOCIÉES
  申请人：RETROTOPE INC

  公开号：WO2018094116A1

  公开（公告）日：2018-05-24

  Methods are provided of identifying a subject having impaired aldehyde dehydrogenase activity; and administering to the subject a compound comprising an isotopicaliy-modified polyunsaturated fatty acid, an isotopicaliy-modified polyunsaturated fatty acid ester, an isotopicaliy-modified polyunsaturated fatty acid thioester, an isotopicaliy-modified polyunsaturated fatty acid amide, a polyunsaturated fatty acid mimetic, or an isotopicaliy-modified polyunsaturated fatty acid pro-drug, the compound having an isotopic modification that reduces oxidation of the compound, thereby reducing production in the subject of substrate for aldehyde dehydrogenase. Some aspects provide coadministering an isotopicaliy-modified polyunsaturated fatty acid and an oxylipin.