N-(1-(Ethylcarbamoyl)piperidin-4-yl)-4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxyquinoline-6-carboxamide | 1190836-43-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(1-(Ethylcarbamoyl)piperidin-4-yl)-4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxyquinoline-6-carboxamide
• 英文别名: N-[1-(ethylcarbamoyl)piperidin-4-yl]-4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxyquinoline-6-carboxamide
• CAS: 1190836-43-1
• 化学式: C₃₄H₃₅FN₆O₅S
• 分子量: 658.754
• InChiKey: GZIMWOTTYVUVHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  47
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(2-Fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxy-N-(piperidin-4-yl)quinoline-6-carboxamide dihydrochloride 、 异氰酸乙酯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 以81%的产率得到N-(1-(Ethylcarbamoyl)piperidin-4-yl)-4-(2-fluoro-4-(3-(2-phenylacetyl)thioureido)phenoxy)-7-methoxyquinoline-6-carboxamide
  参考文献：
  名称：

  ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF

  摘要：

  提供一种抗肿瘤剂，其表现出优异的c-Met抑制作用，并通过选择性地影响c-Met特异表达的肿瘤细胞来减轻副作用。本发明提供一种由式(I)表示的酰基硫脲化合物：（其中，R1和R2中的每一个，可以相同也可以不同，表示氢原子，可选取代的C1-6烷基，可选取代的C3-10环烷基，可选取代的C6-14芳香烃基，或可选取代的饱和或不饱和杂环基，或R1和R2可以与它们所附着的氮原子一起形成一个可选取代的含氮杂环环；R3表示C1-6烷基；R4、R5和R6中的每一个，可以相同也可以不同，表示氢原子，卤素原子，可选取代的C1-6烷基，C1-6烷氧基，C1-6烷基氨基，可选取代的芳香烃基，或可选取代的饱和或不饱和杂环基，或R5和R6可以与它们所附着的苯环一起形成一个环）。或其盐。

  公开号：

  US20110034439A1

文献信息

• Acylthiourea compound or salt thereof, and use thereof
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US08304427B2

  公开（公告）日：2012-11-06

  Provided is a c-Met inhibitory antitumor agent which mitigates side effects by selectively affecting tumor cells in which c-Met is specifically expressed, having a formula (I) or its salt: wherein each of R1 and R2 are independently a hydrogen atom, an optionally substituted C1-6 alkyl, C3-10 cycloalkyl, C6-14 aromatic hydrocarbon, or saturated or unsaturated heterocyclic group, or R1 and R2 may form, together with the nitrogen atom to which they are attached, an optionally substituted nitrogen-containing heterocyclic ring; R3 is a C1-6 alkyl group; and R4, R5, and R6, are independently a hydrogen atom, a halogen atom, an optionally substituted C1-6 alkyl group, a C1-6 alkoxy group, a C1-6 alkylamino group, an optionally substituted aromatic hydrocarbon group, or an optionally substituted saturated or unsaturated heterocyclic group, or R5 and R6 may form a ring together with the phenyl ring to which they are attached.

  提供一种c-Met抑制剂抗肿瘤剂，通过选择性地影响c-Met特异表达的肿瘤细胞来缓解副作用，其具有公式（I）或其盐： 其中，R1和R2分别独立地为氢原子、可选取代的C1-6烷基、C3-10环烷基、C6-14芳香烃或饱和或不饱和的杂环基，或R1和R2可以与它们连接的氮原子一起形成一个可选取代的含氮杂环环；R3是一个C1-6烷基；R4、R5和R6分别为氢原子、卤素原子、可选取代的C1-6烷基、C1-6烷氧基、C1-6烷基氨基、可选取代的芳香烃基或可选取代的饱和或不饱和杂环基，或R5和R6可以与它们连接的苯环一起形成一个环。
• ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE OF THE COMPOUND OR THE SALT
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP2287155A1

  公开（公告）日：2011-02-23

  To provide an antitumor agent which exhibits excellent c-Met inhibitory effect and mitigates side effects by virtue of selectively affecting to tumor cells in which c-Met is specifically expressed. The invention provides an acylthiourea compound represented by formula (I): (wherein each of R1 and R2, which may be the same or different, represents a hydrogen atom, an optionally substituted C1-6 alkyl group, an optionally substituted C3-10 cycloalkyl group, an optionally substituted C6-14 aromatic hydrocarbon group, or an optionally substituted saturated or unsaturated heterocyclic group, or R1 and R2 may form, together with the nitrogen atom to which they are attached, an optionally substituted nitrogen-containing heterocyclic ring; R3 represents a C1-6 alkyl group; and each of R4, R5, and R6, which may be identical to or different from one another, represents a hydrogen atom, a halogen atom, an optionally substituted C1-6 alkyl group, a C1-6 alkoxy group, a C1-6 alkylamino group, an optionally substituted aromatic hydrocarbon group, or an optionally substituted saturated or unsaturated heterocyclic group, or R5 and R6 may form a ring together with the phenyl ring to which they are attached) or a salt thereof.

  提供一种抗肿瘤药，该抗肿瘤药对特异性表达 c-Met 的肿瘤细胞具有选择性影响，从而显示出卓越的 c-Met 抑制作用并减轻副作用。 本发明提供了一种由式（I）代表的酰基硫脲化合物： (其中 R1 和 R2（可以相同或不同）各自代表氢原子、任选取代的 C1-6 烷基、任选取代的 C3-10 环烷基、任选取代的 C6-14 芳烃基团或任选取代的饱和或不饱和杂环基团，或 R1 和 R2 可与所连接的氮原子一起形成任选取代的含氮杂环；R3代表C1-6烷基；R4、R5和R6（它们可以彼此相同或不同）分别代表氢原子、卤素原子、任选取代的C1-6烷基、C1-6烷氧基、C1-6烷氨基、任选取代的芳香烃基团或任选取代的饱和或不饱和杂环基团，或R5和R6可与它们所连接的苯基环一起形成环）或其盐。
• ANTITUMOR AGENT AND ANTITUMOR EFFECT POTENTIATOR
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3682882A1

  公开（公告）日：2020-07-22

  The present invention is intended to provide a novel antitumor agent that shows marked antitumor effects with reduced side effects. The present invention relates to an antitumor agent characterized by coadministration of an acyl thiourea compound represented by general formula (I) or a salt thereof, and an immune checkpoint molecule regulator.

  本发明旨在提供一种新型抗肿瘤药物，该药物具有明显的抗肿瘤效果，且副作用较小。本发明涉及一种抗肿瘤药，其特征在于同时服用通式（I）代表的酰基硫脲化合物或其盐和免疫检查点分子调节剂。
• US8304427B2
  申请人：——

  公开号：US8304427B2

  公开（公告）日：2012-11-06
• ACYLTHIOUREA COMPOUND OR SALT THEREOF, AND USE THEREOF
  申请人：Suda Yoshimitsu

  公开号：US20110034439A1

  公开（公告）日：2011-02-10

  To provide an antitumor agent which exhibits excellent c-Met inhibitory effect and mitigates side effects by virtue of selectively affecting to tumor cells in which c-Met is specifically expressed. The invention provides an acylthiourea compound represented by formula (I): (wherein each of R 1 and R 2 , which may be the same or different, represents a hydrogen atom, an optionally substituted C 1-6 alkyl group, an optionally substituted C 3-10 cycloalkyl group, an optionally substituted C 6-14 aromatic hydrocarbon group, or an optionally substituted saturated or unsaturated heterocyclic group, or R 1 and R 2 may form, together with the nitrogen atom to which they are attached, an optionally substituted nitrogen-containing heterocyclic ring; R 3 represents a C 1-6 alkyl group; and each of R 4 , R 5 , and R 6 , which may be identical to or different from one another, represents a hydrogen atom, a halogen atom, an optionally substituted C 1-6 alkyl group, a C 1-6 alkoxy group, a C 1-6 alkylamino group, an optionally substituted aromatic hydrocarbon group, or an optionally substituted saturated or unsaturated heterocyclic group, or R 5 and R 6 may form a ring together with the phenyl ring to which they are attached) or a salt thereof.

  提供一种抗肿瘤剂，其表现出优异的c-Met抑制作用，并通过选择性地影响c-Met特异表达的肿瘤细胞来减轻副作用。本发明提供一种由式(I)表示的酰基硫脲化合物：（其中，R1和R2中的每一个，可以相同也可以不同，表示氢原子，可选取代的C1-6烷基，可选取代的C3-10环烷基，可选取代的C6-14芳香烃基，或可选取代的饱和或不饱和杂环基，或R1和R2可以与它们所附着的氮原子一起形成一个可选取代的含氮杂环环；R3表示C1-6烷基；R4、R5和R6中的每一个，可以相同也可以不同，表示氢原子，卤素原子，可选取代的C1-6烷基，C1-6烷氧基，C1-6烷基氨基，可选取代的芳香烃基，或可选取代的饱和或不饱和杂环基，或R5和R6可以与它们所附着的苯环一起形成一个环）。或其盐。