4-Cyano-5-ethoxymethylenaminooxazol | 25680-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-Cyano-5-ethoxymethylenaminooxazol
• 英文别名: N-(4-cyano-oxazol-5-yl)-formimidic acid ethyl ester；4-Cyano-5-ethoxymethyleneaminooxazole；ethyl N-(4-cyano-1,3-oxazol-5-yl)methanimidate
• CAS: 25680-27-7
• 化学式: C₇H₇N₃O₂
• 分子量: 165.151
• InChiKey: QTANDEKWXRDEPG-UHFFFAOYSA-N

物化性质

• 沸点：
  322.9±27.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-Cyano-5-ethoxymethylenaminooxazol 在 sodium hydroxide 、 盐酸羟胺 作用下， 生成 6-oxy-oxazolo[5,4-d]pyrimidin-7-ylamine
  参考文献：
  名称：

  Study on Oxazolopyrimidines. IV. The Preparation of 7-Aminooxazolo[5,4-d]pyrimidine 6-Oxide

  摘要：

  DOI：

  10.1246/bcsj.43.3305
• 作为产物：
  描述：

  5-氨基噁唑-4-甲腈 、 原甲酸三乙酯 在 乙酸酐 作用下， 生成 4-Cyano-5-ethoxymethylenaminooxazol
  参考文献：
  名称：

  恶唑并嘧啶的研究。I. 7-氨基恶唑并[5,4-d]嘧啶的合成及光谱性质

  摘要：

  为了与嘌呤衍生物进行比较，通过 N-乙氧基亚甲基中间体从 5-氨基-4-氰基恶唑衍生物制备了几种 2-和 5-取代的恶唑并[5,4-d]嘧啶。检查了这些化合物的光谱数据和一些化学性质。描述了一种制备起始材料的方便方法。

  DOI：

  10.1246/bcsj.43.187

文献信息

• Study on Oxazolopyrimidines. VI. Formation of 3-Substituted Xanthines<i>via</i>7(6<i>H</i>)-Iminooxazolopyrimidines
  作者：Yozo Ohtsuka

  DOI：10.1246/bcsj.46.506

  日期：1973.2

  The condensation of several primary amines with 4-cyano-5-dialkoxymethylenaminooxazole gave 6-substituted 5-alkoxy-7(6H)-immooxazolo[5,4-d]pyrimidines. These compounds were converted into 3-substituted xanthines by treatment with aqueous alkali or by heating in formamide. The present reaction was compared with an analogous reaction, formation of 9-substituted hypoxantines via 7-aminooxazolo[5,4-d]pyridimine

  几种伯胺与 4-氰基-5-二烷氧基亚甲基氨基恶唑的缩合得到 6-取代的 5-烷氧基-7(6H)-immooxazolo[5,4-d] 嘧啶。通过用碱水溶液处理或在甲酰胺中加热，这些化合物被转化为3-取代的黄嘌呤。将本反应与类似反应，通过7-氨基恶唑并[5,4-d]吡啶衍生物形成9-取代的次黄嘌呤进行比较，并从取代基对稳定性的影响方面讨论了反应过程的差异。恶唑并嘧啶中间体。
• Study on Oxazolopyrimidines. V. Preparation of 9-Substituted Hypoxanthines<i>via</i>7-Aminooxazolo[5,4-<i>d</i>]pyrimidines
  作者：Yozo Ohtsuka

  DOI：10.1246/bcsj.43.3909

  日期：1970.12

  Reaction of 4-cyano-5-ethoxymethylenaminooxazoles with aliphatic amines gave 7-alkylaminooxazolo[5,4-d]pyrimidines. The structure of these compounds was discussed on the basis of spectroscopic properties. These oxazolopyrimidines were converted to 9-alkylhypoxanthines by treatment with aqueous alkali (Method A) or by heating in formamide (Method B). Reaction of the ethoxymethylenamino compounds with aromatic amines gave 9-arylhypoxanthines directly (Method C).

  4-Cyano-5-ethoxymethylenaminooxazoles 与脂肪胺反应生成了 7-烷基氨基恶唑并[5,4-d]嘧啶。根据光谱特性讨论了这些化合物的结构。这些噁唑并嘧啶通过水碱处理（方法 A）或甲酰胺加热（方法 B）转化为 9-烷基次黄嘌呤。乙氧基亚甲基氨基化合物与芳香胺反应，可直接得到 9-芳基次黄嘌呤（方法 C）。
• Methods of using phenylmethylbenzoquinone and hydroquinone compounds for treatment of myocarditis, dilated cardiomyopathy and heart failure
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：US06703421B1

  公开（公告）日：2004-03-09

  A method for prevention or treating myocarditis, dilated cardiomyopathy and heart failure comprising administering to a patient in need of such treatment a NF-&kgr;B inhibitor in a therapeutically effective amount, wherein said NF-&kgr;B inhibitor is a benzoquinone derivative represented by the following formula (I): wherein R1, R2 and R3 are each independently a hydrogen atom, an alkyl group having 1 to 5 carbons or an alkoxy group having 1 to 5 carbons; R4 is a hydrogen atom, a hydroxymethyl group, an alkyl group, or a carboxyl group which is optionally esterified or amidated; Z is and n is an integer from 0 to 6, or its hydroquinone form, or a pharmaceutically acceptable salt thereof, is provided.

  一种预防或治疗心肌炎、扩张型心肌病和心力衰竭的方法，包括向需要该治疗的患者施用一种NF-κB抑制剂，所述NF-κB抑制剂为以下式子(I)所表示的苯醌衍生物：其中，R1、R2和R3各自独立地为氢原子、具有1至5个碳的烷基或具有1至5个碳的烷氧基；R4为氢原子、羟甲基基团、烷基或羧基，该羧基可选地酯化或酰胺化；Z为，n为0至6的整数；或其羟醌形式，或其药学上可接受的盐。
• NF-&kgr;B inhibitor comprising an indan derivative as an active ingredient
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：US06734180B1

  公开（公告）日：2004-05-11

  An inhibitor of NF-&kgr;B comprising as an active ingredient an indan derivative represented by the general formula (I) or a salt thereof.

  一种NF-κB抑制剂，其活性成分为由通式（I）表示的indan衍生物或其盐。