ethyl N-(4-bromobutoxy)ethanimidate | 60302-09-2

• 分子结构分类: 有机化合物
• 英文名称: ethyl N-(4-bromobutoxy)ethanimidate
• 英文别名: ethyl N-(4-bromobutoxy)acetoimidate
• CAS: 60302-09-2
• 化学式: C₈H₁₆BrNO₂
• 分子量: 238.125
• InChiKey: LZKXAQLZRBDGJZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  30.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl N-(4-bromobutoxy)ethanimidate 在 氢氧化钾 、 硫化氢 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and some properties of aminooxyalkylcelluloses

  摘要：

  DOI：

  10.1007/bf00922002
• 作为产物：
  描述：

  1,4-二溴丁烷 、 乙酰羟肟酸乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 生成 ethyl N-(4-bromobutoxy)ethanimidate
  参考文献：
  名称：

  Synthesis and some properties of aminooxyalkylcelluloses

  摘要：

  DOI：

  10.1007/bf00922002

文献信息

• Radicicol derivatives
  申请人：Kyowa Hakko Kogyo Co., Ltd.

  公开号：US06239168B1

  公开（公告）日：2001-05-29

  Radicicol derivatives represented by the following formula (I) having tyrosine kinase inhibition activity or pharmacologically acceptable salts thereof: wherein R1 and R2 are the same or different, and each represents hydrogen, alkanoyl, alkenoyl, tert-butyldiphenylsilyl or tert-butyldimethylsilyl; R3 represents Y—R5 {wherein Y represents substituted or unsubstituted alkylene; and R5 represents CONR6R7 (wherein R6 represents hydrogen, hydroxyl, substituted or unsubstituted lower alkyl, substituted or unsubstituted higher alkyl; R7 represents hydroxyl, substituted lower alkyl), CO2R12 (wherein R12 represents substituted lower alkyl, substituted or unsubstituted higher alkyl, X represents halogen.

  以下公式（I）所代表的Radicicol衍生物具有酪氨酸激酶抑制活性或其药学上可接受的盐：其中R1和R2相同或不同，且每个代表氢，烷酰基，烯酰基，叔丁基二苯基硅基或叔丁基二甲基硅基；R3代表Y-R5（其中Y代表取代或未取代的亚烷基；R5代表CONR6R7（其中R6代表氢，羟基，取代或未取代的低烷基，取代或未取代的高烷基；R7代表羟基，取代的低烷基），CO2R12（其中R12代表取代的低烷基，取代或未取代的高烷基，X代表卤素）。
• New Insights into the Design of Inhibitors of Human <i>S</i>-Adenosylmethionine Decarboxylase: Studies of Adenine C⁸ Substitution in Structural Analogues of <i>S</i>-Adenosylmethionine
  作者：Diane E. McCloskey、Shridhar Bale、John A. Secrist、Anita Tiwari、Thomas H. Moss、Jacob Valiyaveettil、Wesley H. Brooks、Wayne C. Guida、Anthony E. Pegg、Steven E. Ealick

  DOI：10.1021/jm801126a

  日期：2009.3.12

  S-adenosylmethionine decarboxylase (AdoMetDC) is a critical enzyme in the polyamine biosynthetic pathway and depends on a pyruvoyl group for the decarboxylation process. The crystal structures of the enzyme with various inhibitors at the active site have shown that the adenine base of the ligands adopts an unusual syn conformation when bound to the enzyme. To determine whether compounds that favor the syn conformation in solution would be more potent AdoMetDC inhibitors, several series of AdoMet substrate analogues with a variety of substituents at the 8-position of adenine were synthesized and analyzed for their ability to inhibit hAdoMetDC. The biochemical analysis indicated that an 8-methyl substituent resulted in more potent inhibitors, yet most other 8-substitutions provided no benefit over the parent compound. To understand these results, we used computational modeling and X-ray crystallography to study C(8)-substituted adenine analogues bound in the active site.
• Use of N-protected aminoalkoxyamines in synthesis of aminooxy adsorbents using BrCN
  作者：A. A. Nedospasov、R. M. Khomutov

  DOI：10.1007/bf00946544

  日期：1978.10