(2-Naphthalen-1-yl-ethyl)-((E)-3-phenyl-allyl)-amine | 1071127-51-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (2-Naphthalen-1-yl-ethyl)-((E)-3-phenyl-allyl)-amine
• 英文别名: (E)-N-(2-naphthalen-1-ylethyl)-3-phenylprop-2-en-1-amine
• CAS: 1071127-51-9
• 化学式: C₂₁H₂₁N
• 分子量: 287.404
• InChiKey: DCWLOLGRMREZNH-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  聚合甲醛 、 (2-Naphthalen-1-yl-ethyl)-((E)-3-phenyl-allyl)-amine 在 sodium tetrahydroborate 作用下， 生成 (E)-N-methyl-N-(3-phenyl-2-propenyl)-1-naphthalene-2-ethanamine
  参考文献：
  名称：

  Synthesis and structure-activity relationships of naftifine-related allylamine antimycotics

  摘要：

  Naftifine (1) is the first representative of the new antifungal allylamine derivatives. Its biological activity is strictly bound to specific structural requirements that are unrelated to those of known antifungals. A tertiary allylamine function seems to be a prerequisite for activity against fungi. By systematic variation of the individual structural elements in 1, detailed structure-activity relationships are defined in which the phenyl ring is the structural feature permitting the widest variations. Versatile synthetic routes to allylamine derivatives and comparative biological data are presented.

  DOI：

  10.1021/jm00151a019
• 作为产物：
  描述：

  1-萘乙胺盐酸盐 在 sodium tetrahydroborate 、 4 A molecular sieve 作用下， 以 甲醇 、 乙醚 为溶剂， 反应 6.33h， 生成 (2-Naphthalen-1-yl-ethyl)-((E)-3-phenyl-allyl)-amine
  参考文献：
  名称：

  Synthesis and structure-activity relationships of naftifine-related allylamine antimycotics

  摘要：

  Naftifine (1) is the first representative of the new antifungal allylamine derivatives. Its biological activity is strictly bound to specific structural requirements that are unrelated to those of known antifungals. A tertiary allylamine function seems to be a prerequisite for activity against fungi. By systematic variation of the individual structural elements in 1, detailed structure-activity relationships are defined in which the phenyl ring is the structural feature permitting the widest variations. Versatile synthetic routes to allylamine derivatives and comparative biological data are presented.

  DOI：

  10.1021/jm00151a019

文献信息

• [EN] FENDILINE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE FENDILINE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV TEXAS

  公开号：WO2014031755A1

  公开（公告）日：2014-02-27

  Disclosed herein are novel derivatives of fendiline, including compounds of the formula: wherein the variables are defined herein. Also provided are pharmaceutical compositions, kits and articles of manufacture comprising these derivative compounds. Methods and intermediates useful for making the derivatives, and methods of using the derivatives, for example, for the inhibition of K-Ras plasma membrane localization, and compositions thereof, including for the treatment of cancer, are also provided.

  本发明公开了芬地林的新的衍生物，包括具有以下通式的化合物：其中变量在本发明中定义。还提供了包含这些衍生物化合物的药物组合物、试剂盒和制品。本发明还提供了用于制造衍生物的方法和中间体，以及使用衍生物的方法，例如，用于抑制K-Ras质膜定位，以及用于治疗癌症的此类组合物。