2-[(5E)-5-(3-bromopropylidene)-5,11-dihydro[1]benzoxepino[3,4-b]pyridin-7-yl]propan-2-ol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 2-[(5E)-5-(3-bromopropylidene)-5,11-dihydro[1]benzoxepino[3,4-b]pyridin-7-yl]propan-2-ol
• 英文别名: 2-[5-(3-Bromo-propylidene)-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol；(E)-2-[5-(3-bromo-propylidene)-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl]-propan-2-ol；2-[(11E)-11-(3-bromopropylidene)-5H-[1]benzoxepino[3,4-b]pyridin-9-yl]propan-2-ol
• 化学式: C₁₉H₂₀BrNO₂
• 分子量: 374.277
• InChiKey: XPCVGZVOHPMTOY-LHHJGKSTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  42.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[(5E)-5-(3-bromopropylidene)-5,11-dihydro[1]benzoxepino[3,4-b]pyridin-7-yl]propan-2-ol 生成 4-(4-Chloro-phenyl)-1-{3-[7-(1-hydroxy-1-methyl-ethyl)-1H-10-oxa-1-aza-dibenzo[a,d]cyclohepten-5-ylidene]-propyl}-3,5-dimethyl-piperidin-4-ol
  参考文献：
  名称：

  Chemokine receptor anagonists and methods of use therefor

  摘要：

  揭示了新颖的化合物以及一种治疗与异常白细胞召集和/或激活相关疾病的方法。该方法包括向需要的受试者施用化合物1或其生理上可接受的盐的有效量。

  公开号：

  US20020169155A1

文献信息

• 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。
• 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.

  揭示了新化合物和一种治疗与异常白细胞召集和/或激活相关疾病的方法。该方法包括向需要的受试者施用由以下公式（1）表示的化合物或其生理上可接受的盐的有效量。
• 10th international symposium on the synthesis and applications of isotopes and isotopically labelled compounds-applications of isotopes in pharmacology, clinical and medical research Session 16, Wednesday, June 17, 2009
  作者：Chad Elmore、Brad Maxwell

  DOI：10.1002/jlcr.1771

  日期：——

  Diverse topics, with a central theme are discussed. On the one hand, the preparation of an anti-epidermal growth factor MAB, labelled with 177Lu is detailed. In addition, traditional syntheses of isotopically labelled small molecules are also highlighted. Copyright © 2010 John Wiley & Sons, Ltd.

  围绕一个中心主题，讨论了各种不同的话题。一方面，详细介绍了用 177Lu 标记的抗表皮生长因子 MAB 的制备。此外，还重点介绍了同位素标记小分子的传统合成方法。Copyright © 2010 John Wiley & Sons, Ltd. All Rights Reserved.
• 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。