4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-formylquinazoline | 851545-81-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-formylquinazoline
• 英文别名: 4-(3-Chloro-4-(3-fluorobenzyloxy)phenylamino) 6-formylquinazoline；4-[3-chloro-4-[(3-fluorophenyl)methoxy]anilino]quinazoline-6-carbaldehyde
• CAS: 851545-81-8
• 化学式: C₂₂H₁₅ClFN₃O₂
• 分子量: 407.831
• InChiKey: NSFMZYRCAAZZAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  64.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-formylquinazoline 、 1-氨基吡咯烷盐酸盐 以 四氢呋喃 、 水 为溶剂， 生成 4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-(pyrrolidin-1-yliminomethyl)quinazoline
  参考文献：
  名称：

  WO2006/90717

  摘要：

  公开号：
• 作为产物：
  描述：

  N-(3-氯-4-((3-氟苄基)氧基)苯基)-6-碘喹唑啉-4-胺盐酸盐 、 一氧化碳 在 bis-triphenylphosphine-palladium(II) chloride sodium formate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-formylquinazoline
  参考文献：
  名称：

  WO2006/90717

  摘要：

  公开号：

文献信息

• Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity
  申请人：Kume Masaharu

  公开号：US20090143414A1

  公开（公告）日：2009-06-04

  A compound which inhibits both of EGF receptor tyrosine kinase and HER2 tyrosine kinase is provided. A compound represented by the general formula (I): wherein R X is a group represented by the formula: wherein R 1 is a hydrogen atom, optionally substituted alkyl, etc.; Z is —O—, —N(R 10 )—, etc.; R 10 is a hydrogen atom, alkyl, etc.; R 2 is a hydrogen atom, optionally substituted alkyl, etc.; R 18 is a hydrogen atom, optionally substituted alkyl, etc.; R 19 is optionally substituted alkyl, etc.; W 1 is an optionally substituted non-aromatic nitrogen-containing group; R 17 is a hydrogen atom, optionally substituted alkyl, etc.; R 3 and R 4 are independently a hydrogen atom, optionally substituted alkyl, etc.; X is —O—, —S—, or —N(R 12 )—, etc.; R 12 is a hydrogen atom, alkyl, etc.; and A is phenyl optionally having a substituent, etc., its pharmaceutically acceptable salt, or a solvate thereof.

  提供了一种抑制EGF受体酪氨酸激酶和HER2酪氨酸激酶的化合物。该化合物由通式（I）表示：其中RX是由以下式子表示的基团：其中R1是氢原子，可选取代烷基等；Z是—O—，—N（R10）—等；R10是氢原子，烷基等；R2是氢原子，可选取代烷基等；R18是氢原子，可选取代烷基等；R19是可选取代烷基等；W1是可选取代非芳香族含氮基团；R17是氢原子，可选取代烷基等；R3和R4分别是氢原子，可选取代烷基等；X是—O—，—S—或—N（R12）—等；R12是氢原子，烷基等；A是苯基，可选取代基等，其药物可接受的盐或其溶剂化合物。
• Quinazoline analogs as receptor tyrosine kinase inhibitors
  申请人：Wallace Eli

  公开号：US20050101616A1

  公开（公告）日：2005-05-12

  This invention concerns quinazoline analogs of Formula I: where an A group is bonded to at least one of the carbons at the 5, 6, 7 or 8 position of the bicyclic ring, and the ring is substituted by up to three independent R 3 groups. The invention also includes methods of using these compounds as type I receptor tyrosine kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer.

  本发明涉及公式I的喹唑啉类似物： 其中A基团连接到双环环上的5、6、7或8位置中的至少一个碳上，并且该环被多达三个独立的R3基团取代。本发明还包括使用这些化合物作为I型受体酪氨酸激酶抑制剂和用于治疗高增殖性疾病（如癌症）的方法。
• Quinazoline analogs as receptor Tyrosine Kinase inhibitors
  申请人：Wallace Eli

  公开号：US20080194558A1

  公开（公告）日：2008-08-14

  This invention concerns quinazoline analogs of Formula I: where an A group is bonded to at least one of the carbons at the 5, 6, 7 or 8 position of the bicyclic ring, and the ring is substituted by up to three independent R 3 groups. The invention also includes methods of using these compounds as type I receptor tyrosine kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer.

  该发明涉及公式I的喹唑啉类似物：其中A基团与双环环上的5、6、7或8位置中的至少一个碳原子结合，并且环被多达三个独立的R3基团取代。该发明还包括使用这些化合物作为类型I受体酪氨酸激酶抑制剂以及用于治疗癌症等增殖过度性疾病的方法。
• QUINAZOLINE ANALOGS AS RECEPTOR TYROSINE KINASE INHIBITORS
  申请人：Wallace Eli

  公开号：US20090270621A1

  公开（公告）日：2009-10-29

  This invention concerns quinazoline analogs of Formula I: where an A group is bonded to at least one of the carbons at the 5, 6, 7 or 8 position of the bicyclic ring, and the ring is substituted by up to three independent R 3 groups. The invention also includes methods of using these compounds as type I receptor tyrosine kinase inhibitors and for the treatment of hyperproliferative diseases such as cancer.

  本发明涉及公式I的喹唑啉类似物：其中A基团连接到双环环上的5、6、7或8位置之一的碳上，环被多达三个独立的R3基团取代。本发明还包括将这些化合物用作I型受体酪氨酸激酶抑制剂并用于治疗癌症等增生性疾病的方法。
• Quinazoline derivatives having tyrosine kinase inhibitory activity
  申请人：Shionogi & Co., Ltd.

  公开号：US08202879B2

  公开（公告）日：2012-06-19

  A compound which inhibits both of EGF receptor tyrosine kinase and HER2 tyrosine kinase is provided. A compound represented by the general formula (I): wherein RX is a group represented by the formula: wherein R1 is a hydrogen atom, optionally substituted alkyl, etc.; Z is —O—, —N(R10)—, etc.; R10 is a hydrogen atom, alkyl, etc.; R2 is a hydrogen atom, optionally substituted alkyl, etc.; R18 is a hydrogen atom, optionally substituted alkyl, etc.; R19 is optionally substituted alkyl, etc.; W1 is an optionally substituted non-aromatic nitrogen-containing group; R17 is a hydrogen atom, optionally substituted alkyl, etc.; R3 and R4 are independently a hydrogen atom, optionally substituted alkyl, etc.; X is —O—, —S—, or —N(R12)—, etc.; R12 is a hydrogen atom, alkyl, etc.; and A is phenyl optionally having a substituent, etc., its pharmaceutically acceptable salt, or a solvate thereof.

  提供了一种抑制EGF受体酪氨酸激酶和HER2酪氨酸激酶的化合物。该化合物由下式表示： 其中，RX是由以下式表示的基团： 其中，R1是氢原子，可选择地被取代的烷基等；Z是-O-，-N（R10）-等；R10是氢原子，烷基等；R2是氢原子，可选择地被取代的烷基等；R18是氢原子，可选择地被取代的烷基等；R19是可选择地被取代的烷基等；W1是可选择地被取代的非芳香氮含有基团；R17是氢原子，可选择地被取代的烷基等；R3和R4分别是氢原子，可选择地被取代的烷基等；X是-O-，-S-或-N（R12）-等；R12是氢原子，烷基等；A是苯环，可选择地具有取代基等，其制药上可接受的盐或其溶剂。