2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}acetamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}acetamide
• 英文别名: 2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
• 化学式: C₁₅H₂₁N₃O
• 分子量: 259.35
• InChiKey: JKGRWCOPMPGQCI-QPJJXVBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  49.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Pyrimidine A2B selective antagonist compounds, their synthesis and use
  申请人：Castelhano Arlindo

  公开号：US20050119271A1

  公开（公告）日：2005-06-02

  The subject invention provides compounds having the structure: wherein R 1 is substituted or unsubstituted phenyl or a 5-6 membered heterocyclic or heteroaromatic ring containing from 1 to 5 heteroatoms; R 2 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)-O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety; R 3 is hydrogen, or a substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)-O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 2 and R 3 are joined to form a heterocyclic ring; wherein the dashed line represents a second bond which may be present or absent, and when present R 3 is oxygen; R 4 and R 5 are each independently substituted or unsubstituted alkyl, —C(O)-alkyl, —C(O)-O-alkyl, alkoxy, cycloalkyl, alkenyl, monocyclic or bicyclic aryl, heteroaryl or heterocyclic moiety, or R 4 NR 5 together form a substituted or unsubstituted monocyclic or bicyclic, heterocyclic or heteroaryl moiety containing from 1 to 6 heteroatoms; R 12 is hydrogen, alkyl, halogen or cyano; and n is 0, 1, 2, 3 or 4, or an enantiomer, or a specific tautomer, or a pharmaceutically acceptable salt thereof and a method for treating a disease associated with the A 2b adenosine receptor by administering a therapeutically effective amount of the compounds of the invention.

  本发明提供具有以下结构的化合物： 其中，R1是取代或未取代的苯基或含有1至5个杂原子的5-6元杂环或杂芳基环；R2是氢，或取代或未取代的烷基，-C(O)-烷基，-C(O)-O-烷基，烷氧基，环烷基，烯基，单环或双环芳基，杂芳基或杂环基；R3是氢，或取代或未取代的烷基，-C(O)-烷基，-C(O)-O-烷基，烷氧基，环烷基，烯基，单环或双环芳基，杂芳基或杂环基；或R2和R3结合形成杂环环；其中虚线表示第二键可能存在或不存在，当存在时，R3是氧；R4和R5分别是取代或未取代的烷基，-C(O)-烷基，-C(O)-O-烷基，烷氧基，环烷基，烯基，单环或双环芳基，杂芳基或杂环基；或R4NR5一起形成含有1至6个杂原子的取代或未取代的单环或双环，杂环或杂芳基；R12是氢，烷基，卤素或氰基；n为0、1、2、3或4，或其对映异构体，或其特定互变异构体，或其药学上可接受的盐，并提供了一种通过给予本发明化合物的治疗有效量来治疗与A2b腺苷受体相关的疾病的方法。
• US6916804B2
  申请人：——

  公开号：US6916804B2

  公开（公告）日：2005-07-12
• US7501407B2
  申请人：——

  公开号：US7501407B2

  公开（公告）日：2009-03-10