4-(4-氨基-苯氧基)-苯甲酸酰胺 | 106273-44-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(4-氨基-苯氧基)-苯甲酸酰胺
• 英文名称: OULL-0085
• 英文别名: 4-(4-amino-phenoxy)-benzoic acid amide；4-(4-Amino-phenoxy)-benzoesaeure-amid；4-(4-Aminophenoxy)benzamide
• CAS: 106273-44-3
• 化学式: C₁₃H₁₂N₂O₂
• mdl: MFCD11133127
• 分子量: 228.25
• InChiKey: PGXRZMVBLFFQQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(4-氨基-苯氧基)-苯甲酸酰胺 生成 4-(4-guanidino-phenoxy)-benzoic acid amide
  参考文献：
  名称：

  Ito; Shibanuma, Chemical and pharmaceutical bulletin, 1959, vol. 7, p. 605,607

  摘要：

  DOI：
• 作为产物：
  描述：

  4-(4-nitro-phenoxy)-benzoic acid amide 在 palladium on activated charcoal 作用下， 生成 4-(4-氨基-苯氧基)-苯甲酸酰胺
  参考文献：
  名称：

  Ito; Shibanuma, Chemical and pharmaceutical bulletin, 1959, vol. 7, p. 605,607

  摘要：

  DOI：

文献信息

• Discovery and optimization of 4-anilinoquinazoline derivatives spanning ATP binding site and allosteric site as effective EGFR-C797S inhibitors
  作者：Dou Dou、Jie Wang、Yunjin Qiao、Gulinuer Wumaier、Wenjie Sha、Wenjie Li、Wenyi Mei、Tingyuan Yang、Chen Zhang、Huan He、Caolin Wang、Linna Chu、Baihui Sun、Rongrong Su、Xiangyu Ma、Mengdie Gong、Lijuan Xie、Wenzhe Jiang、Yanyan Diao、Lili Zhu、Zhenjiang Zhao、Zhuo Chen、Yufang Xu、Shengqing Li、Honglin Li

  DOI：10.1016/j.ejmech.2022.114856

  日期：2022.12

  drug target for the treatment of non-small cell lung cancer (NSCLC). However, a tertiary point mutation (C797S) at the ATP binding pocket of the EGFR induces resistance to the third-generation EGFR inhibitors, due to the loss of covalent interaction with Cys797. Here, we designed a series of 4-anilinoquinazoline derivatives that simultaneously occupied the ATP binding pocket and the allosteric site

  表皮生长因子受体 (EGFR) 是治疗非小细胞肺癌 (NSCLC) 的有效药物靶点。然而，由于与 Cys797 的共价相互作用丧失，EGFR 的 ATP 结合口袋处的三级点突变 (C797S) 诱导了对第三代 EGFR 抑制剂的耐药性。在这里，我们设计了一系列同时占据 ATP 结合口袋和变构位点的 4-苯胺基喹唑啉衍生物。新合成的化合物对 EGFR-C797S 抗性突变显示出高效力。其中，化合物14d对 BaF3-EGFR L858R/T790M/C797S (IC 50  = 0.75 μM) 和 BaF3-EGFR 19del/T790M/C797S (IC 50 = 0.09 μM) 细胞。此外，14d在 BaF3-EGFR 19del/T790M/C797S细胞中以剂量依赖的方式对 EGFR 及其下游信号通路产生明显的抑制活性。最后，14d显着抑制 BaF3-EGFR 19del/
• The discovery of aminopyrazines as novel, potent Nav1.7 antagonists: Hit-to-lead identification and SAR
  作者：Howard Bregman、Hanh Nho Nguyen、Elma Feric、Joseph Ligutti、Dong Liu、Jeff S. McDermott、Ben Wilenkin、Anruo Zou、Liyue Huang、Xingwen Li、Stefan I. McDonough、Erin F. DiMauro

  DOI：10.1016/j.bmcl.2012.01.023

  日期：2012.3

  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.
• SUBSTITUTED ARYL COMPOUNDS FOR TREATMENT OF DISEASE
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP1480977A2

  公开（公告）日：2004-12-01
• [EN] SUBSTITUTED-ARYL COMPOUNDS FOR TREATMENT OF DISEASE<br/>[FR] COMPOSES ARYLE SUBSTITUES PERMETTANT DE TRAITER UNE MALADIE
  申请人：UPJOHN CO

  公开号：WO2003070728A2

  公开（公告）日：2003-08-28

  The invention provides compounds of Formula I: (I). These compounds may be in the form of pharmaceutical salts or compositions, racemic mixtures, or pure enantiomers thereof. The compounds of Formula I are useful in pharmaceuticals to treat diseases or conditions in which α7 is known to be involved.
• Ito; Shibanuma, Chemical and pharmaceutical bulletin, 1959, vol. 7, p. 605,607
  作者：Ito、Shibanuma

  DOI：——

  日期：——