4-(4-(3-ethylureido)-3-fluoro-phenoxy)-7-methoxyquinoline-6-carboxylic acid (2-cyanoethyl)amide | 417720-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(4-(3-ethylureido)-3-fluoro-phenoxy)-7-methoxyquinoline-6-carboxylic acid (2-cyanoethyl)amide
• 英文别名: 4-(4-(3-ethylureido)-3-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid (2-cyanoethyl)amide；N-(2-cyanoethyl)-4-[4-(ethylcarbamoylamino)-3-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
• CAS: 417720-41-3
• 化学式: C₂₃H₂₂FN₅O₄
• 分子量: 451.457
• InChiKey: RTEIDPNMIHKCTL-UHFFFAOYSA-N

物化性质

• 沸点：
  672.0±55.0 °C(Predicted)
• 密度：
  1.324±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  125
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-(4-(3-Ethylureido)-3-fluorophenoxy)-7-methoxyquinoline-6-carboxylic acid 、 ethylcyanamide 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 在 三乙胺 作用下， 生成 4-(4-(3-ethylureido)-3-fluoro-phenoxy)-7-methoxyquinoline-6-carboxylic acid (2-cyanoethyl)amide
  参考文献：
  名称：

  Nitrogen-containing aromatic derivatives

  摘要：

  由以下一般式表示的化合物： 1 [其中 A g 是可选择地取代的5-至14-成员杂环基团，等等；X g 是—O—，—S—，等等；Y g 是可选择地取代的C 6 - 14 芳基团，可选择地取代的5-至14-成员杂环基团，等等；以及 T g1 是由以下一般式表示的基团： 2 [其中 E g 是单键或—N(R g2 )—，R g1 和R g2 各自独立地表示氢原子，可选择地取代的C 1-6 烷基基团，等等，Z g 表示C 1-8 烷基基团，C 3-8 脂环烃基团，C 6-14 芳基团，等等]， 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。
• Anti-tumour pharmaceutical composition with angiogenesis inhibitors
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2281901A2

  公开（公告）日：2011-02-09

  The present invention provides a pharmaceutical composition comprising a VEGF receptor kinase inhibitor in combination with a substance having EGF inhibitory activity. The pharmaceutical composition can be used in a method of treating cancer. The invention also provides kits containing a combination of a preparation comprising a VEGF receptor kinase inhibitor and a preparation comprising a substance having EGF inhibitory activity.

  本发明提供了一种药物组合物，它包含一种血管内皮生长因子受体激酶抑制剂与一种具有表皮生长因子抑制活性的物质。该药物组合物可用于治疗癌症的方法中。本发明还提供了包含由血管内皮生长因子受体激酶抑制剂组成的制剂和由具有 EGF 抑制活性的物质组成的制剂组合的试剂盒。
• Joint use of sulfonamide based compound with angiogenesis inhibitor
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP2364699A1

  公开（公告）日：2011-09-14

  The present invention relates to a pharmaceutical composition comprising a sulfonamide-including compound in combination with a VEGF receptor kinase inhibitor as an angiogenesis, inhibitor, wherein the sulfonamide-including compound is N-(3-cyano-4-methyl-1 H-indol-7-yl)-3-cyanobenzenesulfonaxnide (E7820), or a pharmacologically acceptable salt thereof or a solvate thereof.

  本发明涉及一种药物组合物，该药物组合物包含一种磺酰胺类化合物与一种血管内皮生长因子受体激酶抑制剂组合作为血管生成抑制剂、 其中包括磺酰胺的化合物是N-(3-氰基-4-甲基-1H-吲哚-7-基)-3-氰基苯磺酰亚胺(E7820)，或其药理上可接受的盐或其溶液。
• ANTI-TUMOR AGENT FOR MULTIPLE MYELOMA
  申请人：Kamata Junichi

  公开号：US20090247576A1

  公开（公告）日：2009-10-01

  The object of the invention is to provide a pharmaceutical composition and a therapeutic method which can exert their effects with higher efficiency on a living organism having at least one cell selected from the group consisting of a cell overexpressing FGFR3, a cell that has a t(4;14) translocation and a cell expressing mutant FGFR3. The compound represented by General Formula (I), a pharmacologically acceptable salt thereof or a solvate thereof can exert their effects with higher efficiency on a living organism having at least one cell selected from the group consisting of a cell overexpressing FGFR3, a cell that has a t(4;14) translocation and a cell expressing mutant FGFR3.