N-(4-Fluorophenyl)-N'-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea | 417714-78-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-Fluorophenyl)-N'-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea
• 英文别名: 1-(4-fluorophenyl)-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea
• CAS: 417714-78-4
• 化学式: C₂₀H₁₅FN₄O₂
• 分子量: 362.363
• InChiKey: PDBPMZXZFHCYJF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  79
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)aniline 、 异氰酸对氟苯基酯 以 乙酸乙酯 为溶剂， 以to obtain 65 mg of the target substance的产率得到N-(4-Fluorophenyl)-N'-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea
  参考文献：
  名称：

  Nitrogen-containing aromatic derivatives

  摘要：

  以下一般式所表示的化合物：1[其中Ag为可选取代的5-至14-成员杂环基团等；X为—O—，—S—等；Y为可选取代的C6-14芳基基团，可选取代的5-至14-成员杂环基团等；而Tg1为以下一般式所表示的基团：2（其中Eg为单键或—N(Rg2)—，Rg1和Rg2各自独立地表示氢原子，可选取代的C1-6烷基基团等，而Zg表示C1-8烷基基团，C3-8脂环烃基团，C6-14芳基基团等），其盐或上述化合物的水合物。

  公开号：

  US20040053908A1

文献信息

• Nitrogen-Containing Aromatic Derivatives
  申请人：Funahashi Yasuhiro

  公开号：US20100197911A1

  公开（公告）日：2010-08-05

  Compounds represented by the following general formula: [wherein A g is an optionally substituted 5- to 14-membered heterocyclic group, etc.; X g is —O—, —S—, etc.; Y g is an optionally substituted C 6-14 aryl group, an optionally substituted 5- to 14-membered heterocyclic group, etc.; and T g1 is a group represented by the following general formula: (wherein E g is a single bond or —N(R g2 )—, R g1 and R g2 each independently represent a hydrogen atom, an optionally substituted C 1-6 alkyl group, etc. and Z g represents a C 1-8 alkyl group, a C 3-8 alicyclic hydrocarbon group, a C 6-14 aryl group, etc.)], salts thereof or hydrates of the foregoing.

  以下是由下列通式表示的化合物：[其中Ag是可选取代的5-至14-成员杂环基团等；Xg是-O-，-S-等；Yg是可选取代的C6-14芳基团，可选取代的5-至14-成员杂环基团等；Tg1是由下列通式表示的基团：（其中Eg是单键或-N（Rg2）-，Rg1和Rg2各自独立地表示氢原子，可选取代的C1-6烷基团等；Zg表示C1-8烷基团，C3-8萜环碳氢基团，C6-14芳基团等）]，其盐或上述化合物的水合物。
• NITROGEN-CONTAINING AROMATIC DERIVATIVES
  申请人：FUNAHASHI Yasuhiro

  公开号：US20110118470A1

  公开（公告）日：2011-05-19

  Compounds represented by the following general formula: wherein A g is an optionally substituted 5- to 14-membered heterocyclic group, etc.; X g is —O—, —S—, etc.; Y g is an optionally substituted C 6-14 aryl group, an optionally substituted 5- to 14-membered heterocyclic group, etc.; and T g1 is a group represented by the following general formula: (wherein E g is a single bond or —N(R g2 )—), R g1 and R g2 each independently represent a hydrogen atom, an optionally substituted C 1-6 alkyl group, etc. and Z g represents a C 1-8 alkyl group, a C 3-8 alicyclic hydrocarbon group, a C 6-14 aryl group, etc.), salts thereof or hydrates of the foregoing.

  以下通式所表示的化合物：其中Ag是可选取代的5-至14-成员杂环基团等；Xg是-O-，-S-等；Yg是可选取代的C6-14芳基团，可选取代的5-至14-成员杂环基团等；Tg1是以下通式所表示的基团：其中Eg为单键或-N（Rg2）-，Rg1和Rg2各自独立地表示氢原子，可选取代的C1-6烷基基团等，而Zg则表示C1-8烷基基团，C3-8萜烃环基团，C6-14芳基团等，其盐或以上化合物的水合物。
• MULTIKINASE INHIBITOR
  申请人：Ozawa Sawako

  公开号：US20100168430A1

  公开（公告）日：2010-07-01

  It is intended to provide a compound represented by the formula (1): [wherein Ar is an arylene group to be attached selected from the following formula (2): (wherein * represents a binding site to a nitrogen atom and ** represents a binding site to T); T represents —(O) n —R; R represents a C 1 -C 6 alkyl group or the like; n represents 0 or 1; X represents O or the like; R 2 , R 3 and R 4 are independently selected from a hydrogen atom or C 1 -C 3 alkyl; or R 2 and R 3 may join together with an urea structure containing the nitrogen atoms to which they bind to form a 5- or 6-membered heterocycle; Y represents CH or N], or a pharmaceutically acceptable salt thereof or a prodrug thereof and a pharmaceutical composition containing the same.

  本发明旨在提供一种由公式（1）表示的化合物：[其中Ar是从以下公式（2）中选择的待连接的芳基烃基团：（其中*表示与氮原子结合的结合位，**表示与T结合的结合位）；T表示-（O）n-R；R表示C1-C6烷基或类似物；n表示0或1；X表示O或类似物；R2、R3和R4独立地选自氢原子或C1-C3烷基；或R2和R3可以与含有它们结合的氮原子的脲结构结合形成5-或6-成员杂环；Y表示CH或N]，或其药学上可接受的盐或前药及含有其的制药组合物。
• Nitrogen-containing aromatic heterocycles
  申请人：Eisai Co. Ltd.

  公开号：EP1506962A2

  公开（公告）日：2005-02-16

  Compounds represented by the following general formula: [wherein Ag is an optionally substituted 5- to 14-membered heterocyclic group, etc.; Xg is -O-, -S-, etc.; Yg is an optionally substituted C6-14 aryl group, an optionally substituted 5- to 14-membered heterocyclic group, etc.; and Tg1 is a group represented by the following general formula: (wherein Eg is a single bond or -N(Rg2)-, Rg1 and Rg2 each independently represent a hydrogen atom, an optionally substituted C1-6 alkyl group, etc. and Zg represents a C1-8 alkyl group, a C3-8 alicyclic hydrocarbon group, a C6-14 aryl group, etc.)], salts thereof or hydrates of the foregoing.

  由以下通式代表的化合物： [其中 Ag 是任选取代的 5 至 14 元杂环基团等；Xg 是-O-、-S-等；Yg 是任选取代的 C6-14 芳基、任选取代的 5 至 14 元杂环基团等；以及 Tg1 是由下通式表示的基团： (其中 Eg 是单键或-N(Rg2)-，Rg1 和 Rg2 各自独立地代表氢原子、任选取代的 C1-6 烷基等，Zg 代表 C1-8 烷基、C3-8 脂环烃基、C6-14 芳基等）]、其盐或上述物质的水合物。
• Process for the preparation of 4-phenoxy quinoline derivatives
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1777218A1

  公开（公告）日：2007-04-25

  The present invention concerns a process for preparing a compound represented by the following general formula (a-11): or a pharmacologically acceptable salt or hydrate thereof, which comprises reacting a compound represented by the following general formula (a-12): with a compound represented by the following general formula (a-4) : wherein the residues R1, R2, Rsa1 - Rsa3, R300, R301 and Z are as defined in the claims.

  本发明涉及一种制备由以下通式（a-11）代表的化合物的工艺： 或其药理学上可接受的盐或水合物的制备工艺，该工艺包括使下式通式（a-12）所代表的化合物反应： 与下式通式（a-4）所代表的化合物反应： 其中残基 R1、R2、Rsa1-Rsa3、R300、R301 和 Z 如权利要求中所定义。