4-(4-(3-(4-fluorophenyl)ureido)phenoxy)-N-methylpicolinamide | 1285533-80-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(4-(3-(4-fluorophenyl)ureido)phenoxy)-N-methylpicolinamide
• 英文别名: 4-[4-[[[[4-fluorophenyl]amino]carbonyl]amino]phenoxy]-N-methylpyridine-2-carboxamide；4-[4-[(4-fluorophenyl)carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
• CAS: 1285533-80-3
• 化学式: C₂₀H₁₇FN₄O₃
• 分子量: 380.378
• InChiKey: RFLLKWCMUQXNHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  对氨基苯酚 在 potassium tert-butylate 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 4-(4-(3-(4-fluorophenyl)ureido)phenoxy)-N-methylpicolinamide
  参考文献：
  名称：

  Usharani; Bhujanga Rao; Reddy, Asian Journal of Chemistry, 2011, vol. 23, # 4, p. 1802 - 1806

  摘要：

  DOI：

文献信息

• Kinase inhibitor compounds, compositions, and methods of treating cancer
  申请人：ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI

  公开号：US10519113B2

  公开（公告）日：2019-12-31

  The present invention relates to a compound having the structure of formula (I) or a stereoisomer, pharmaceutically acceptable salt, oxide, or solvate thereof, where X, Y, Z, R, R1, R2, R3, R4, R5, and R6 are as described herein. The present invention also relates to compositions containing the compound having the structure of formula (I), and a method of treating cancer in a subject.

  本发明涉及一种具有式（I）结构的化合物或其立体异构体、药学上可接受的盐、氧化物或溶液，其中 X、Y、Z、R、R1、R2、R3、R4、R5 和 R6 如本文所述。本发明还涉及含有具有式（I）结构的化合物的组合物，以及治疗受试者癌症的方法。
• [EN] KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER<br/>[FR] COMPOSÉS INHIBITEURS DE KINASE, COMPOSITIONS ET MÉTHODES DE TRAITEMENT DU CANCER
  申请人：ICHAN SCHOOL OF MEDICINE AT MOUNT SINAI

  公开号：WO2018035346A8

  公开（公告）日：2019-03-07
• KINASE INHIBITOR COMPOUNDS, COMPOSITIONS, AND METHODS OF TREATING CANCER
  申请人：ICHAN SCHOOL OF MEDICINE AT MOUNT SINAI

  公开号：US20190202789A1

  公开（公告）日：2019-07-04

  The present invention relates to a compound having the structure of formula (I) or a stereoisomer, pharmaceutically acceptable salt, oxide, or solvate thereof, where X, Y, Z, R, R 1 , R 2 , R 3 , R 4 , R 5 , and R 6 are as described herein. The present invention also relates to compositions containing the compound having the structure of formula (I), and a method of treating cancer in a subject.