phenyl-N-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)carbamate

• 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: phenyl-N-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)carbamate
• 英文别名: phenyl N-(5-ethyl-6-methyl-2-methoxypyridin-3-yl)carbamate；Phenyl N-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)carbamate
• 化学式: C₁₆H₁₈N₂O₃
• 分子量: 286.331
• InChiKey: ADUIMRFDRWQPRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  phenyl-N-(5-ethyl-2-methoxy-6-methylpyridin-3-yl)carbamate 、 1-对羟基苯基哌嗪 生成 1-[(5-ethyl-2-methoxy-6-methylpyridin-3-yl)aminocarbonyl]-4-(4-hydroxyphenyl)piperazine
  参考文献：
  名称：

  Piperazine derivatives and methods for the preparation thereof and

  摘要：

  本发明涉及一般式(I)的新化合物及其酸加成盐。其中，R1和R2独立地表示氢、C1-C8烷基或选择性取代的C3-C6环状烷基，其中含有C3-C8；R3、R4、R5、R6和R7独立地表示氢、卤素、羟基、硝基、C1-C4较低酯基、C1-C4较低烷基、C1-C4较低烷氧基、芳基、芳基烷氧基或不饱和胺基；l为0-7的整数；m和n独立地为0-1的整数；W为碳或氮；X为氧、硫或选择性取代的亚胺基；Y为氮或氧；Z为氢、C1-C8烷氧基、芳氧基、C1-C4烷基胺、含有N1-N5的环胺基或羰基基团。上述式(I)的化合物不仅具有强烈的抗肿瘤活性，而且毒性较低，因此有望成为新型抗肿瘤剂。

  公开号：

  US05780472A1

文献信息

• 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。
• NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME
  申请人：SAMJIN PHARM. CO., LTD.

  公开号：EP0749425A1

  公开（公告）日：1996-12-27
• PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Samjin Pharmaceutical Co., Ltd.

  公开号：EP0850222A1

  公开（公告）日：1998-07-01
• US5780472A
  申请人：——

  公开号：US5780472A

  公开（公告）日：1998-07-14
• US6028195A
  申请人：——

  公开号：US6028195A

  公开（公告）日：2000-02-22