4-(4-Cyclopropylphenoxy)aniline | 1366234-55-0

• 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: 4-(4-Cyclopropylphenoxy)aniline
• 英文别名: 4-(4-cyclopropylphenoxy)aniline
• CAS: 1366234-55-0
• 化学式: C₁₅H₁₅NO
• 分子量: 225.29
• InChiKey: KUVCLVMODKLBCD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氨基-2-氯嘧啶 、 4-(4-Cyclopropylphenoxy)aniline 在 盐酸 作用下， 以 甲醇 为溶剂， 以40%的产率得到2-N-[4-(4-cyclopropylphenoxy)phenyl]pyrimidine-2,4-diamine
  参考文献：
  名称：

  The discovery of aminopyrazines as novel, potent Nav1.7 antagonists: Hit-to-lead identification and SAR

  摘要：

  Herein the discovery of a novel class of aminoheterocyclic Na(v)1.7 antagonists is reported. Hit compound 1 was potent but suffered from poor pharmacokinetics and selectivity. The compact structure of 1 offered a modular synthetic strategy towards a broad structure-activity relationship analysis. This analysis led to the identification of aminopyrazine 41, which had vastly improved hERG selectivity and pharmacokinetic properties. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.023

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS
  申请人：XENIOPRO GMBH

  公开号：WO2020039088A2

  公开（公告）日：2020-02-27

  The present invention comprises novel aromatic molecules, which can be used in the treatment of pathological conditions, such as cancer, skin diseases, muscle disorders, and immune system-related disorders such as disorders of the haematopoietic system including the haematologic system in human and veterinary medicine.