2-cyclobutylamino-1-(2,3-dichlorophenyl)ethanol | 390406-80-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-cyclobutylamino-1-(2,3-dichlorophenyl)ethanol
• 英文别名: 2-(cyclobutylamino)-1-(2,3-dichlorophenyl)ethanol
• CAS: 390406-80-1
• 化学式: C₁₂H₁₅Cl₂NO
• 分子量: 260.163
• InChiKey: IDIJHFCHRFNTLK-UHFFFAOYSA-N

物化性质

• 沸点：
  405.1±40.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(methylamino-t-butylcarbonyl)-aniline isocyanate 、 2-cyclobutylamino-1-(2,3-dichlorophenyl)ethanol 以 二氯甲烷 为溶剂， 生成 N-(4-{3-[2-(2,3-Dichloro-phenyl)-2-hydroxy-ethyl]-3-cyclobutyl-ureido}-benzyl)-2,2-dimethyl-propionamide
  参考文献：
  名称：

  Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists

  摘要：

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00538-8
• 作为产物：
  描述：

  2,3-二氯苯甲醛 在 氢氧化钾 作用下， 以 乙腈 为溶剂， 生成 2-cyclobutylamino-1-(2,3-dichlorophenyl)ethanol
  参考文献：
  名称：

  Discovery and initial structure–Activity relationships of trisubstituted ureas as thrombin receptor (PAR-1) antagonists

  摘要：

  Thrombin is the most potent agonist of platelet activation, and its effects are predominantly mediated by platelet thrombin receptors. Therefore, antagonists of the thrombin receptor have potential utility for the treatment of thrombotic disorders. Screening of combinatorial libraries revealed 2 to be a potent antagonist of the thrombin receptor. Modifications of this structure produced 11k, which inhibits thrombin receptor stimulated secretion and aggregation of platelets. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00538-8

文献信息

• Thrombin receptor antagonists
  申请人：——

  公开号：US20020007045A1

  公开（公告）日：2002-01-17

  A thrombin receptor antagonist having the formula 1 useful for inhibiting the aggregation of blood platelets. The compounds can be used in a method of acting upon a thrombin receptor which comprises administering a therapeutically effective but non-toxic amount of such compound to a mammal, preferably a human.

  一种具有公式1的凝血酶受体拮抗剂，用于抑制血小板聚集。这些化合物可用于一种作用于凝血酶受体的方法，其中包括向哺乳动物，特别是人类，给予治疗有效但无毒的量的该化合物。
• US6515023B2
  申请人：——

  公开号：US6515023B2

  公开（公告）日：2003-02-04