1[(2-Methoxyquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethylphenyl)piperazine | 201675-28-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 1[(2-Methoxyquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethylphenyl)piperazine
• 英文别名: 4-(3,5-dimethylphenyl)-N-(2-methoxyquinolin-3-yl)piperazine-1-carbothioamide
• CAS: 201675-28-7
• 化学式: C₂₃H₂₆N₄OS
• 分子量: 406.552
• InChiKey: FKSWVPZBXFQEST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  phenyl N-(2-methoxyquinolin-3-yl)thiocarbamate 、 1-(3,5-二甲基苯基)哌嗪 以79%的产率得到1[(2-Methoxyquinolin-3-yl)aminothiocarbonyl]-4-(3,5-dimethylphenyl)piperazine
  参考文献：
  名称：

  Piperazine derivatives and process for the preparation thereof

  摘要：

  本发明涉及一种具有强抗肿瘤活性的新化合物，其通式为(I)： 其中R.sub.1和R.sub.2分别独立地为氢、取代或未取代的C.sub.1-C.sub.8烷基、取代或未取代的C.sub.3-C.sub.6环烷基、取代或未取代的C.sub.2-C.sub.8不饱和烷基、酮、取代或未取代的芳基、取代或未取代的C.sub.1-C.sub.4烷氧基、取代或未取代的芳基羟基、取代或未取代的氨基、C.sub.1-C.sub.4较低酯基、C.sub.1-C.sub.4较低硫酯基、硫醇、取代或未取代的羧基、环氧基、取代或未取代的C.sub.1-C.sub.4较低硫代烷氧基；或者R.sub.1和R.sub.2融合形成C.sub.3-C.sub.4饱和或不饱和链；R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7独立地为氢、卤素、羟基、硝基、C.sub.1-C.sub.4较低酯基、C.sub.1-C.sub.4较低烷基、C.sub.1-C.sub.4较低硫代烷基、取代或未取代的C.sub.3-C.sub.6环烷基、C.sub.1-C.sub.4较低烷氧基、C.sub.1-C.sub.4较低硫代烷氧基、取代或未取代的芳基、取代或未取代的较低芳基氧基、取代或未取代的较低烷基氨基，或较低烷基取代或未取代的碳酸酯基；或在R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7中，两个相邻的基团彼此连接形成1,2-苯基或2,3-萘基；X为氧、硫或取代或未取代的亚胺基；Y连接在芳香环部分的3-位或4-位，其中Y为氧或--NR.sub.8--（其中，R.sub.8与上述的R.sub.3相同）；Z为羟基、C.sub.1-C.sub.4较低烷氧基、C.sub.1-C.sub.4较低硫代烷氧基、取代或未取代的芳氧基、C.sub.1-C.sub.4较低烷基氨基、含有1-5个氮原子的取代或未取代的环氨基；A为氮或--CH.dbd.；其药学上可接受的酸盐和其制备方法。

  公开号：

  US06028195A1

文献信息

• N'-(pyridin-3-yl)-(4-phenylpiperazin-1-yl)-carboxyimidamide and -iminothiolate derivatives for the treatment of tumors
  申请人：Samjin Pharmaceutical Co., Ltd.

  公开号：EP1424072A1

  公开（公告）日：2004-06-02

  The present invention relates to a novel compound of the general formula (I) and its pharmaceutically acceptable acid addition salt, and process for the preparation thereof, which have strong antimumor activities and very low toxicity. wherein R1 and R2 are independently hydrogen, C1-C4 alkyl, C1-C4 alkylcarboxyl, C1-C4 alkylcarbonyl, C1-C4 alkoxy, C1-C4 hydroxyalkyl, C1-C4 aminoalkyl or C1-C4 hydroxyiminoalkyl, or R1 and R2 are fused to form C3-C4 unsaturated ring; R3, R4, R5, R6 and R7 are independently hydrogen, halogen, hydroxy, nitro, amino, C1-C4 alkyl, C1-C4 alkylcarboxyl, C1-C4 alkylcarbonyl, C1-C4 alkoxy or C1-C4 thioalkoxy; Y is amino, substituted amino or C1-C4 thioalkyl; Z is C1-C4 alkoxy, C1-C4 alkyl, C1-C4 alkylamino or C1-C4 thioalkoxy; X1 is CH and X2 is nitrogen;

  本发明涉及一种通式(I)的新型化合物及其药学上可接受的酸加成盐及其制备工艺，该化合物具有很强的抗肿瘤活性和很低的毒性。 其中 R1 和 R2 独立地为氢、C1-C4 烷基、C1-C4 烷羰基、C1-C4 烷羰基、C1-C4 烷氧基、C1-C4 羟烷基、C1-C4 氨基烷基或 C1-C4 羟亚氨基烷基，或 R1 和 R2 融合形成 C3-C4 不饱和环； R3、R4、R5、R6 和 R7 独立地是氢、卤素、羟基、硝基、氨基、C1-C4 烷基、C1-C4 烷基羧基、C1-C4 烷基羰基、C1-C4 烷氧基或 C1-C4 硫代烷氧基； Y 是氨基、取代氨基或 C1-C4 硫代烷基； Z 是 C1-C4 烷氧基、C1-C4 烷基、C1-C4 烷基氨基或 C1-C4 硫代烷氧基； X1 是 CH，X2 是氮；
• PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Samjin Pharmaceutical Co., Ltd.

  公开号：EP0850222B1

  公开（公告）日：2003-05-28
• US6028195A
  申请人：——

  公开号：US6028195A

  公开（公告）日：2000-02-22
• US6683184B2
  申请人：——

  公开号：US6683184B2

  公开（公告）日：2004-01-27
• Piperazine derivatives and process for the preparation thereof
  申请人：Samjin Pharmaceutical Co., Ltd.

  公开号：US06028195A1

  公开（公告）日：2000-02-22

  The present invention relates to novel compound having strong antimumor activities of the general formula(I) ##STR1## wherein R.sub.1 and R.sub.2 are independently hydrogen, substituted or unsubstituted C.sub.1 -C.sub.8 alkyl, substituted or unsubstituted C.sub.3 -C.sub.6 cycloalkyl, substituted or unsubstituted C.sub.2 -C.sub.8 unsaturated alkyl, ketone, substituted or unsubstituted aryl, substituted or unsubstituted C.sub.1 -C.sub.4 alkoxy, substituted or unsubstituted arylhydroxy, substituted or unsubstituted amino, C.sub.1 -C.sub.4 lower ester, C.sub.1 -C.sub.4 lower thioester, thiol, substituted or unsubstituted carboxyl, epoxy, substituted or unsubstituted C.sub.1 -C.sub.4 lower thioalkoxy; or R.sub.1 and R.sub.2 are fused to form C.sub.3 -C.sub.4 saturated or unsaturated chain; R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are independently hydrogen, halogen, hydroxy, nitro, C.sub.1 -C.sub.4 lower ester, C.sub.1 -C.sub.4 lower alkyl, C.sub.1 -C.sub.4 lower thioalkyl, substituted or unsubstituted C.sub.3 -C.sub.6 cycloalkyl, C.sub.1 -C.sub.4 lower alkoxy, C.sub.1 -C.sub.4 lower thioalkoxy, substituted or unsubstituted aryl, substituted or unsubstituted lower arylalkoxy, substituted or unsubstituted lower alkylamino, or lower alkyl substituted or unsubstituted carbamate; or among R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7, two adjacent groups are bonded with each other to form 1,2-phenylene or 2,3-naphthylene; X is oxygen, sulfur, or substituted or unsubstituted imino; Y is bonded at the 3-position or 4-position of the aromatic ring part wherein Y is oxygen or --NR.sub.8 -- (wherein, R.sub.8 is the same with the above-mentioned R.sub.3.); Z is hydroxy, C.sub.1 -C.sub.4 lower alkoxy, C.sub.1 -C.sub.4 lower thioalkoxy, substituted or unsubstituted aryloxy, C.sub.1 -C.sub.4 lower alkylamino, substituted or unsubstituted cycloamino containing 1-5 nitrogen atoms; A is nitrogen or --CH.dbd.; its pharmaceutically acceptable acid addition salts and process for the preparation thereof.

  本发明涉及一种具有强抗肿瘤活性的新化合物，其通式为(I)： 其中R.sub.1和R.sub.2分别独立地为氢、取代或未取代的C.sub.1-C.sub.8烷基、取代或未取代的C.sub.3-C.sub.6环烷基、取代或未取代的C.sub.2-C.sub.8不饱和烷基、酮、取代或未取代的芳基、取代或未取代的C.sub.1-C.sub.4烷氧基、取代或未取代的芳基羟基、取代或未取代的氨基、C.sub.1-C.sub.4较低酯基、C.sub.1-C.sub.4较低硫酯基、硫醇、取代或未取代的羧基、环氧基、取代或未取代的C.sub.1-C.sub.4较低硫代烷氧基；或者R.sub.1和R.sub.2融合形成C.sub.3-C.sub.4饱和或不饱和链；R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7独立地为氢、卤素、羟基、硝基、C.sub.1-C.sub.4较低酯基、C.sub.1-C.sub.4较低烷基、C.sub.1-C.sub.4较低硫代烷基、取代或未取代的C.sub.3-C.sub.6环烷基、C.sub.1-C.sub.4较低烷氧基、C.sub.1-C.sub.4较低硫代烷氧基、取代或未取代的芳基、取代或未取代的较低芳基氧基、取代或未取代的较低烷基氨基，或较低烷基取代或未取代的碳酸酯基；或在R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7中，两个相邻的基团彼此连接形成1,2-苯基或2,3-萘基；X为氧、硫或取代或未取代的亚胺基；Y连接在芳香环部分的3-位或4-位，其中Y为氧或--NR.sub.8--（其中，R.sub.8与上述的R.sub.3相同）；Z为羟基、C.sub.1-C.sub.4较低烷氧基、C.sub.1-C.sub.4较低硫代烷氧基、取代或未取代的芳氧基、C.sub.1-C.sub.4较低烷基氨基、含有1-5个氮原子的取代或未取代的环氨基；A为氮或--CH.dbd.；其药学上可接受的酸盐和其制备方法。