4-(4-chlorophenyl)-1-[3-(7-hydroxyamidinomethoxy-5,11-dihydro[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperidin-4-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-(4-chlorophenyl)-1-[3-(7-hydroxyamidinomethoxy-5,11-dihydro[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperidin-4-ol
• 英文别名: 2-[[5-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propylidene]-6H-[1]benzoxepino[2,3-b]pyridin-7-yl]oxy]-N'-hydroxyethanimidamide
• 化学式: C₂₉H₃₁ClN₄O₄
• 分子量: 535.043
• InChiKey: WSUQNBSPVJRTID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(4-chlorophenyl)-1-[3-(7-hydroxyamidinomethoxy-5,11-dihydro[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperidin-4-ol 在 吡啶 、 氯化亚砜 作用下， 以 四氢呋喃 、 氯仿 、 水 为溶剂， 生成 4-(4-chlorophenyl)-1-[3-(5,11-dihydro-7-(2-oxo-3H-1,2,3,5-oxathiadiazol-4-yl)methyloxy[1]benzoxepino[2,3-b]pyridin-5-ylidene)propyl]piperidin-4-ol
  参考文献：
  名称：

  CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF

  摘要：

  揭示了新颖的化合物以及治疗与异常白细胞召集和/或激活相关的疾病的方法。该方法包括向需要的受试者施用代表的化合物的有效量： 或其生理上可接受的盐。

  公开号：

  US20160031908A1

文献信息

• Chemokine receptor anagonists and methods of use therefor
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20020169155A1

  公开（公告）日：2002-11-14

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: 1 or physiologically acceptable salt thereof.

  本发明涉及新型化合物及治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受试者施用有效量的化合物，所述化合物的表示式为：1或其生理上可接受的盐。
• Chemokine receptor antagonists and methods of use thereof
  申请人：Luly R. Jay

  公开号：US20050070549A1

  公开（公告）日：2005-03-31

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: formula (1) or physiologically acceptable salt thereof.

  本发明涉及新的化合物及治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受体中投与有效量的化合物，该化合物由式（1）或其生理上可接受的盐所代表。
• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR
  申请人：Luly Jay R.

  公开号：US20090281081A1

  公开（公告）日：2009-11-12

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  本发明涉及新化合物以及一种治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受体内给予一种有效量的化合物，该化合物表示为：或其生理上可接受的盐。
• Chemokine receptor antagonists and methods of use therefor
  申请人：Luly R. Jay

  公开号：US20070060592A1

  公开（公告）日：2007-03-15

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  本发明涉及一种新型化合物和一种治疗与异常白细胞招募和/或激活相关的疾病的方法。该方法包括向需要治疗的受体内投与有效量的化合物，所述化合物的表示式为：或其生理上可接受的盐。
• CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF
  申请人：Millennium Pharmaceuticals, Inc.

  公开号：US20160031908A1

  公开（公告）日：2016-02-04

  Disclosed are novel compounds and a method of treating a disease associated with aberrant leukocyte recruitment and/or activation. The method comprises administering to a subject in need an effective amount of a compound represented by: or physiologically acceptable salt thereof.

  揭示了新颖的化合物以及治疗与异常白细胞召集和/或激活相关的疾病的方法。该方法包括向需要的受试者施用代表的化合物的有效量： 或其生理上可接受的盐。