N-(3-(diethylamino)propyl)-3-((3-(pyridin-4-ylcarbamoyl)phenyl)amino)benzamide | 1587633-42-8

• 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-(3-(diethylamino)propyl)-3-((3-(pyridin-4-ylcarbamoyl)phenyl)amino)benzamide
• 英文别名: N-[3-(diethylamino)propyl]-3-[3-(pyridin-4-ylcarbamoyl)anilino]benzamide
• CAS: 1587633-42-8
• 化学式: C₂₆H₃₁N₅O₂
• 分子量: 445.564
• InChiKey: YJMAFUJAOSUYNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  86.4
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-溴苯甲酰氯 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 sodium hydroxide 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 二氯甲烷 、 水 、 叔丁醇 为溶剂， 反应 38.0h， 生成 N-(3-(diethylamino)propyl)-3-((3-(pyridin-4-ylcarbamoyl)phenyl)amino)benzamide
  参考文献：
  名称：

  New anti-invasive compounds

  摘要：

  本发明涉及一种化合物，其化学式为（I）：其中A和A'分别代表苯基或吡啶基；R2是氢原子或（C1-C4）烷基；R3是2-吡啶基、3-吡啶基、4-吡啶基、2-嘧啶基、4-嘧啶基或5-嘧啶基；R4是羰基或磺酰基；R5是-NH-(CH2)a-NR6R7基团或4-甲基哌嗪基团，其中a为1至4的整数，R6和R7分别独立表示（C1-C4）烷基，或者R6和R7与它们连接的氮原子一起形成被选择为4-甲基哌嗪基团、吗啉基团、吡咯啉基团和哌啶基团的杂环基团；或其药学上可接受的盐之一。该发明还涉及含有化合物（I）或其药学上可接受的盐的药物组合物，以及用于获得它们的制备过程。所述化合物（I）对治疗癌症有用。

  公开号：

  EP2712862A1

文献信息

• NEW ANTI-INVASIVE COMPOUNDS
  申请人：ABIVAX

  公开号：US20150315173A1

  公开（公告）日：2015-11-05

  The present invention relates to a compound of formula (I): wherein A and A′ independently represent a phenylene group or a pyridylene group; R 2 is a hydrogen atom or a (C 1 -C 4 )alkyl group; R 3 is a 2-pyridyl group, 3-pyridyl group, a 4-pyridyl group, a 2-pyrimidinyl group, a 4-pyrimidinyl group or a 5-pyrimidinyl group; R 4 is a carbonyl group or a sulfonyl group; and R 5 is a —NH—(CH 2 ) a —NR 6 R 7 group or a 4-methylpiperazinyl group, with a being an integer from 1 to 4, R 6 and R 7 representing independently a (C 1 -C 4 )alkyl group, or R 6 and R 7 together with the nitrogen atom to which they are linked forming a heterocycle group which is chosen among a 4-methylpiperazinyl group, a morpholino group, a pyrrolidinyl group and a piperidino group; or any one of its pharmaceutically acceptable salt.

  本发明涉及一种化合物，其化学式为（I）：其中A和A'分别表示苯基或吡啶基；R2为氢原子或（C1-C4）烷基；R3为2-吡啶基、3-吡啶基、4-吡啶基、2-嘧啶基、4-嘧啶基或5-嘧啶基；R4为羰基或磺酰基；R5为-NH-(CH2)a-NR6R7基团或4-甲基哌嗪基团，其中a为1至4的整数，R6和R7分别表示独立的（C1-C4）烷基，或者R6和R7与它们连接的氮原子一起形成杂环基团，所述杂环基团选择自4-甲基哌嗪基团、吗啡啉基团、吡咯烷基团和哌啶基团；或其药学上可接受的盐之一。
• Compounds useful for treating cancer
  申请人：ABIVAX

  公开号：US10717724B2

  公开（公告）日：2020-07-21

  The present invention relates to a compound of formula (I): wherein A and A′ independently represent a phenylene group or a pyridylene group; R2 is a hydrogen atom or a (C1-C4)alkyl group; R3 is a 2-pyridyl group, 3-pyridyl group, a 4-pyridyl group, a 2-pyrimidinyl group, a 4-pyrimidinyl group or a 5-pyrimidinyl group; R4 is a carbonyl group or a sulfonyl group; and R5 is a —NH—(CH2)a—NR6R7 group or a 4-methylpiperazinyl group, with a being an integer from 1 to 4, R6 and R7 representing independently a (C1-C4)alkyl group, or R6 and R7 together with the nitrogen atom to which they are linked forming a heterocycle group which is chosen among a 4-methylpiperazinyl group, a morpholino group, a pyrrolidinyl group and a piperidino group; or any one of its pharmaceutically acceptable salt.

  本发明涉及一种式 (I) 的化合物： 其中 A 和 A′各自代表亚苯基或亚吡啶基；R2 是氢原子或（C1-C4）烷基；R3 是 2-吡啶基、3-吡啶基、4-吡啶基、2-嘧啶基、4-嘧啶基或 5-嘧啶基；R4 是羰基或磺酰基；R5是-NH-(CH2)a-NR6R7基团或4-甲基哌嗪基团，其中a为1至4的整数，R6和R7独立地代表(C1-C4)烷基，或R6和R7与它们连接的氮原子一起形成杂环基团，该杂环基团可从4-甲基哌嗪基团、吗啉基团、吡咯烷基团和哌啶基团中选择；或其药学上可接受的盐中的任意一种。
• COMPOUNDS USEFUL FOR TREATING CANCER
  申请人：ABIVAX

  公开号：US20180222888A1

  公开（公告）日：2018-08-09

  The present invention relates to a compound of formula (I): wherein A and A′ independently represent a phenylene group or a pyridylene group; R 2 is a hydrogen atom or a (C 1 -C 4 )alkyl group; R 3 is a 2-pyridyl group, 3-pyridyl group, a 4-pyridyl group, a 2-pyrimidinyl group, a 4-pyrimidinyl group or a 5-pyrimidinyl group; R 4 is a carbonyl group or a sulfonyl group; and R 5 is a —NH—(CH 2 ) a —NR 6 R 7 group or a 4-methylpiperazinyl group, with a being an integer from 1 to 4, R 6 and R 7 representing independently a (C 1 -C 4 )alkyl group, or R 6 and R 7 together with the nitrogen atom to which they are linked forming a heterocycle group which is chosen among a 4-methylpiperazinyl group, a morpholino group, a pyrrolidinyl group and a piperidino group; or any one of its pharmaceutically acceptable salt.
• US9969715B2
  申请人：——

  公开号：US9969715B2

  公开（公告）日：2018-05-15