2-[(5-chloro-2-{[2-(methoxy)-4-(4-morpholinyl)phenyl]amino}-4-pyridinyl)amino]-N-(methyloxy)benzamide | 1184931-40-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 2-[(5-chloro-2-{[2-(methoxy)-4-(4-morpholinyl)phenyl]amino}-4-pyridinyl)amino]-N-(methyloxy)benzamide
• 英文别名: 2-[[5-chloro-2-(2-methoxy-4-morpholin-4-ylanilino)pyridin-4-yl]amino]-N-methoxybenzamide
• CAS: 1184931-40-5
• 化学式: C₂₄H₂₆ClN₅O₄
• 分子量: 483.955
• InChiKey: VSCNSVUTBOOMPL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  97
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  2-甲氧基-4-(4-吗啉)苯胺 、 2-[(2,5-dichloro-4-pyridinyl)amino]benzoic acid 在 tris-(dibenzylideneacetone)dipalladium(0) 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium t-butanolate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.67h， 生成 2-[(5-chloro-2-{[2-(methoxy)-4-(4-morpholinyl)phenyl]amino}-4-pyridinyl)amino]-N-(methyloxy)benzamide
  参考文献：
  名称：

  [EN] ANILINOPYRIDINES AS INHIBITORS OF FAK
  [FR] ANILINOPYRIDINES UTILISÉES COMME INHIBITEURS DE FAK

  摘要：

  本发明涉及一种化合物的公式（I）或其药用可接受盐，其中R1-R4，Q，Z，r和p如本文所定义。本发明的化合物在治疗与FAK过度表达相关的疾病方面具有用途，包括增殖性疾病。

  公开号：

  WO2009105498A1

文献信息

• FAK inhibitor and drug combination thereof
  申请人：HINOVA PHARMACEUTICALS INC.

  公开号：US20220125788A1

  公开（公告）日：2022-04-28

  A deuterated compound as represented by formula (I) or an optical isomer, a tautomer, a pharmaceutically acceptable salt, a prodrug, a hydrate, or a solvate thereof are presented. Compared with a compound before deuteration, the deuterated compound shows better pharmacokinetics, higher maximum plasma drug concentration, higher exposure, and longer half-life, and has more excellent metabolic performance. The deuterated compound can effectively inhibit FAK activity, and has good application prospect in preparation of FAK inhibitors and/or drugs for treating cancer. In addition, the use of the deuterated compound in combination with an anti-cancer drug (such as a PD-1 inhibitor) can achieve a synergistic effect, thereby significantly improving the tumor suppression effect, and providing a better choice for clinical cancer treatment.

  本发明提供了由公式(I)所表示的氘代化合物或其光学异构体、互变异构体、药学上可接受的盐、前药、水合物或溶剂化物。与氘代化合物之前的化合物相比，氘代化合物表现出更好的药代动力学、更高的最大血浆药物浓度、更高的曝光度和更长的半衰期，并具有更出色的代谢性能。氘代化合物可以有效地抑制FAK活性，在制备FAK抑制剂和/或用于治疗癌症的药物方面具有良好的应用前景。此外，将氘代化合物与抗癌药物（如PD-1抑制剂）联合使用可以实现协同作用，从而显著提高肿瘤抑制效果，为临床癌症治疗提供更好的选择。
• ANILINOPYRIDINES AS INHIBITORS OF FAK
  申请人：Adams Jerry Leroy

  公开号：US20100317663A1

  公开（公告）日：2010-12-16

  The present invention relates to a compound of formula (I): or a pharmaceutically acceptable salt thereof, wherein R 1 -R 4 , Q, Z, r, and p are as defined herein. Compounds of the present invention are useful in the treatment of diseases associated with FAK overexpression, including proliferative diseases.

  本发明涉及式（I）的化合物： 或其药学上可接受的盐，其中R1-R4，Q，Z，r和p如本文中所定义。本发明的化合物在治疗与FAK过度表达相关的疾病中是有用的，包括增殖性疾病。
• THERAPEUTIC COMPOSITIONS, COMBINATIONS, AND METHODS OF USE
  申请人：Verastem, Inc.

  公开号：US20180177788A1

  公开（公告）日：2018-06-28

  This invention relates to methods comprising administering a FAK inhibitor and an immunotherapeutic agent such as anti-PD-1 or anti-PD-L1; that are useful in the treatment of abnormal cell growth, such as cancer, in mammals, especially humans.
• [EN] ORAL DOSING REGIMEN OF A DUAL MTOR AND PI3 INHIBITOR<br/>[FR] RÉGIME POSOLOGIQUE ORAL D'UN DOUBLE INHIBITEUR DE MTOR ET PI3
  申请人：VERASTEM INC

  公开号：WO2016109426A1

  公开（公告）日：2016-07-07

  The present invention relates to a method of treating a human subject having cancer, the method comprising administering to the subject a course of treatment comprising three (e.g., three, five) administrations of a compound of Formula (I) over a seven day period, wherein the compound is administered on days 1, 3, and 5 (e.g., 1, 3, and 5; 1, 2, 3, 4, and 5) of the seven day period, thereby treating the subject.
• [EN] THERAPEUTIC COMPOSITIONS, COMBINATIONS, AND METHODS OF USE<br/>[FR] COMPOSITIONS THÉRAPEUTIQUES, ASSOCIATIONS ET PROCÉDÉS D'UTILISATION
  申请人：VERASTEM INC

  公开号：WO2017004192A1

  公开（公告）日：2017-01-05

  This invention relates to methods comprising administering a FAK inhibitor and an immunotherapeutic agent such as anti-PD-1 or anti-PD-L1; that are useful in the treatment of abnormal cell growth, such as cancer, in mammals, especially humans.