N-(4'-((1-methylpiperidin-4-yl)oxy)-[1,1'-biphenyl]-3-yl)-2-naphthamide | 1499198-14-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: N-(4'-((1-methylpiperidin-4-yl)oxy)-[1,1'-biphenyl]-3-yl)-2-naphthamide
• 英文别名: N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-2-carboxamide
• CAS: 1499198-14-9
• 化学式: C₂₉H₂₈N₂O₂
• 分子量: 436.554
• InChiKey: AATCXQCIQDPOER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-甲基-4-哌啶醇 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 偶氮二甲酸二异丙酯 、 potassium carbonate 、 三苯基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 26.5h， 生成 N-(4'-((1-methylpiperidin-4-yl)oxy)-[1,1'-biphenyl]-3-yl)-2-naphthamide
  参考文献：
  名称：

  [EN] BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS
  [FR] INHIBITEURS DE HSP90 DÉRIVÉS DE BIPHÉNYLAMIDE

  摘要：

  提供具有以下公式的化合物：其中变量Y1-Y5、X1-X5、A1-A4、x、y、n1、n2和R1-R15按本文定义。还提供了这些化合物的药物组合物。在某些方面，这些化合物对于治疗一种疾病或失调，包括例如增殖性疾病（如癌症）是有用的。

  公开号：

  WO2015070091A1

文献信息

• [EN] BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS<br/>[FR] INHIBITEURS DE HSP90 DÉRIVÉS DE BIPHÉNYLAMIDE
  申请人：UNIV KANSAS

  公开号：WO2015070091A1

  公开（公告）日：2015-05-14

  Compounds of the formulas are provided: wherein variables Y1-Y5, X1-X5, A1-A4, x, y, n1, n2, and R1-R15 are as defined herein. Pharmaceutical compositions of the compounds are also provided. In some aspects, these compounds are are useful for the treatment of a disease or disorder, including, for example, a proliferative disease, such as cancer.

  提供具有以下公式的化合物：其中变量Y1-Y5、X1-X5、A1-A4、x、y、n1、n2和R1-R15按本文定义。还提供了这些化合物的药物组合物。在某些方面，这些化合物对于治疗一种疾病或失调，包括例如增殖性疾病（如癌症）是有用的。
• BIPHENYLAMIDE DERIVATIVE HSP90 INHIBITORS
  申请人：THE UNIVERSITY OF KANSAS

  公开号：US20160272584A1

  公开（公告）日：2016-09-22

  Compounds of the formulas are provided: wherein variables Y 1 -Y 5 , X 1 -X 5 , A 1 -A 4 , X, y, n 1 , n 2 , and R 1 -R 15 are as defined herein. Pharmaceutical compositions of the compounds are also provided. In some aspects, these compounds are useful for the treatment of a disease or disorder, including, for example, a proliferative disease, such as cancer.

  提供以下化合物的公式：其中变量Y1-Y5，X1-X5，A1-A4，X，y，n1，n2和R1-R15如本文所定义。还提供了这些化合物的药物组合物。在某些方面，这些化合物可用于治疗疾病或疾病，包括例如增生性疾病，如癌症。
• Biphenylamide derivative Hsp90 inhibitors
  申请人：University of Kansas

  公开号：US10689344B2

  公开（公告）日：2020-06-23

  Compounds of the formulas are provided: wherein variables Y1-Y5, X1-X5, A1-A4, X, y, n1, n2, and R1-R15 are as defined herein. Pharmaceutical compositions of the compounds are also provided. In some aspects, these compounds are useful for the treatment of a disease or disorder, including, for example, a proliferative disease, such as cancer.

  提供了如下式子的化合物：其中变量 Y1-Y5、X1-X5、A1-A4、X、y、n1、n2 和 R1-R15 如本文所定义。还提供了这些化合物的药物组合物。在某些方面，这些化合物可用于治疗疾病或紊乱，包括例如癌症等增殖性疾病。
• Identification of a New Scaffold for Hsp90 C-Terminal Inhibition
  作者：Huiping Zhao、Elisabetta Moroni、Giorgio Colombo、Brian S. J. Blagg

  DOI：10.1021/ml400404s

  日期：2014.1.9

  Inhibition of Hsp90 C-terminal function is an advantageous therapeutic paradigm for the treatment of cancer. Currently, the majority of Hsp90 C-terminal inhibitors are derived from novobiocin, a natural product traditionally used as an antibiotic. Assisted by molecular docking studies, a scaffold containing a biphenyl moiety in lieu of the coumarin ring system found in novobiocin was identified for development of new Hsp90 C-terminal inhibitors. Initial structure-activity studies led to derivatives that manifest good antiproliferative activity against two breast cancer cell lines through Hsp90 inhibition. This platform serves as a scaffold upon which new Hsp90 C-terminal inhibitors can be readily assembled for further investigation.