1-[(2-Methoxyquinoxalin-3-yl) N-isopropylaminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine | 291510-73-1

• 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-Methoxyquinoxalin-3-yl) N-isopropylaminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
• 英文别名: 1-[(2-Methoxyquinoxalin-3-yl)N-isopropylaminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine；4-(3,5-dimethoxyphenyl)-N-(3-methoxyquinoxalin-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
• CAS: 291510-73-1
• 化学式: C₂₅H₃₁N₅O₄
• 分子量: 465.552
• InChiKey: HJXPNTZSWIXEQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  80.3
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-[(2-Methoxyquinoxalin-3-yl)aminocarbonyl]-4-(3,5-dimethoxyphenyl) piperazine 、 1-碘代丙烷 以 N-甲基乙酰胺 为溶剂， 以82%的产率得到1-[(2-Methoxyquinoxalin-3-yl) N-isopropylaminocarbonyl]-4-(3,5-dimethoxyphenyl)piperazine
  参考文献：
  名称：

  Piperazine derivatives and process for the preparation thereof

  摘要：

  本发明涉及一种新型化合物，其通式为(I)，及其药学上可接受的酸盐，并涉及其制备方法，该化合物具有很强的抗肿瘤活性和极低的毒性。其中R1和R2独立地为氢、C1-C4烷基、C1-C4烷基羧基、C1-C4烷基羰基、C1-C4烷氧基、C1-C4羟基烷基、C1-C4氨基烷基或C1-C4羟基亚烷基，或者R1和R2融合形成C3-C4不饱和环；R3、R4、R5、R6和R7独立地为氢、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硫氧基；R8为C1-C4烷基；Y为氧、硫、氨基、取代氨基或C1-C4硫代烷基；Z为C1-C4烷氧基、C1-C4烷基、C1-C4烷基氨基或C1-C4硫代烷氧基；X1和X2独立地为碳或氮；且-N═C—和—C═Y—可以形成单键或双键，条件是如果—N═C—形成单键，则—C═Y—形成双键，如果—C═Y—形成单键，则—N═C—形成双键，且R8不存在。

  公开号：

  US20030092910A1

文献信息

• PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF
  申请人：Samjin Pharmaceutical Co., Ltd.

  公开号：EP1075469A1

  公开（公告）日：2001-02-14
• US6683184B2
  申请人：——

  公开号：US6683184B2

  公开（公告）日：2004-01-27
• [EN] PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF<br/>[FR] DERIVES DE PIPERAZINE ET LEUR PROCEDE DE PREPARATION
  申请人：SAMJIN PHARM CO LTD

  公开号：WO2000052001A1

  公开（公告）日：2000-09-08

  The present invention relates to a novel compound of general formula (I) and its pharmaceutically acceptable acid addition salt, and process for the preparation thereof, which have strong antitumor 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; R8 is C1-C4 alkyl; Y is oxygen, sulphur, amino, substituted amino or C1-C4 thioalkyl; Z is C1-C4 alkoxy, C1-C4 alkyl, C1-C4 alkylamino or C1-C4 thioalkoxy; X1 and X2 are independently carbon or nitrogen; and -N--C- and -C--Y- may form a single bond or a double bond provided that if -N--C- forms a single bond, -C--Y- forms a double bond, and if -C--Y- forms a single bond, -N--C- forms a double bond and R8 is nonexistent.
• Piperazine derivatives and process for the preparation thereof
  申请人：Samjin Pharmaceutical Co., Ltd.

  公开号：US20030092910A1

  公开（公告）日：2003-05-15

  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. 1 wherein R 1 and R 2 are independently hydrogen, C 1 -C 4 alkyl, C 1 -C 4 alkylcarboxyl, C 1 -C 4 alkylcarbonyl, C 1 -C 4 alkoxy, C 1 -C 4 hydroxyalkyl, C 1 -C 4 aminoalkyl or C 1 -C 4 hydroxyiminoalkyl, or R 1 and R 2 are fused to form C 3 -C 4 unsaturated ring; R 3 , R 4 , R 5 , R 6 and R 7 are independently hydrogen, halogen, hydroxy, nitro, amino, C 1 -C 4 alkyl, C 1 -C 4 alkylcarboxyl, C 1 -C 4 alkylcarbonyl, C 1 -C 4 alkoxy or C 1 -C 4 thioalkoxy; R 8 is C 1 -C 4 alkyl; Y is oxygen, sulphur, amino, substituted amino or C 1 -C 4 thioalkyl; Z is C 1 -C 4 alkoxy, C 1 -C 4 alkyl C 1 -C 4 alkylamino or C 1 -C 4 thioalkoxy; X 1 and X 2 are independently carbon or nitrogen; and —N═C— and —C═Y— may form a single bond or a double bond provided that if —N═C— forms a single bond, —C═Y— forms a double bond, and if —C═Y— forms a single bond, —N═C— forms a double bond and R 8 is nonexistent.

  本发明涉及一种新型化合物，其通式为(I)，及其药学上可接受的酸盐，并涉及其制备方法，该化合物具有很强的抗肿瘤活性和极低的毒性。其中R1和R2独立地为氢、C1-C4烷基、C1-C4烷基羧基、C1-C4烷基羰基、C1-C4烷氧基、C1-C4羟基烷基、C1-C4氨基烷基或C1-C4羟基亚烷基，或者R1和R2融合形成C3-C4不饱和环；R3、R4、R5、R6和R7独立地为氢、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硫氧基；R8为C1-C4烷基；Y为氧、硫、氨基、取代氨基或C1-C4硫代烷基；Z为C1-C4烷氧基、C1-C4烷基、C1-C4烷基氨基或C1-C4硫代烷氧基；X1和X2独立地为碳或氮；且-N═C—和—C═Y—可以形成单键或双键，条件是如果—N═C—形成单键，则—C═Y—形成双键，如果—C═Y—形成单键，则—N═C—形成双键，且R8不存在。