1-[(5,6-dimethyl-2-methoxypyridin-3-yl)aminothiocarbonyl]-4-(3-chlorophenyl) piperazine | 180697-88-5

• 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-[(5,6-dimethyl-2-methoxypyridin-3-yl)aminothiocarbonyl]-4-(3-chlorophenyl) piperazine
• 英文别名: 1-[(5,6-Dimethyl-2-methoxypyridin-3-yl)aminothiocarbonyl]-4-(3-chlorophenyl) piperazine；4-(3-chlorophenyl)-N-(2-methoxy-5,6-dimethylpyridin-3-yl)piperazine-1-carbothioamide
• CAS: 180697-88-5
• 化学式: C₁₉H₂₃ClN₄OS
• 分子量: 390.937
• InChiKey: NGMZXKFUFYOWJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 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-(5,6-dimethyl-2-methoxypyridin-3-yl)thiocarbamate 、 1-(3-氯苯基)哌嗪 以69%的产率得到1-[(5,6-dimethyl-2-methoxypyridin-3-yl)aminothiocarbonyl]-4-(3-chlorophenyl) 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)的新化合物及其酸盐。其中R.sub.1和R.sub.2独立地是氢、C.sub.1-C.sub.8烷基或可选择取代的含有C.sub.3-C.sub.6的C.sub.3-C.sub.8环烷基；R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7独立地是氢、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较低烷氧基、芳基、芳基氧基或不饱和胺基；l是0-7的整数；m和n独立地是0-1的整数；W是碳或氮；X是氧、硫、可选择取代的亚胺；Y是氮或氧；Z是氢、C.sub.1-C.sub.8烷氧基、芳氧基、C.sub.1-C.sub.4烷基胺、含N.sub.1-N.sub.5的环胺或氧代基。上述一般式(I)的化合物具有强抗肿瘤活性和较低毒性，因此被期望作为新型抗肿瘤药物。

  公开号：

  US05780472A1

文献信息

• US5780472A
  申请人：——

  公开号：US5780472A

  公开（公告）日：1998-07-14
• [EN] NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME<br/>[FR] NOUVEAUX DERIVES PIPERAZINES, LEURS PROCEDES DE PREPARATION, ET COMPOSITIONS LES CONTENANT
  申请人：SAMJIN PHARMACEUTICAL CO., LTD.

  公开号：WO1996021648A1

  公开（公告）日：1996-07-18

  (EN) The present invention relates to novel compound of general formula (I) and acid addition salt thereof, wherein R1 and R2 are independently hydrogen, C1-C8 alkyl or optionally substituted C3-C6 membered cycloalkyl containing C3-C8; R3, R4, R5, R6 and R7 are independently hydrogen, halogen, hydroxy, nitro, C1-C4 lower ester, C1-C4 lower alkyl, C1-C4 lower alkoxy, aryl, arylalkoxy or unsaturated amine; 1 is an integer of 0-7; m and n are independently an integer of 0-1; W is carbon or nitrogen; X is oxygen, sulfur, optionally substituted imine; Y is nitrogen or oxygen; and Z is hydrogen, C1-C8 alkoxy, aryloxy, C1-C4 alkylamine, cycloamine containing N1-N5 or oxo group. The present compounds of the above formula (I) have not only strong antitumor activities but lower toxicities, and accordingly are expected as novel antitumor agents.(FR) Nouveau composé répondant à la formule générale (I), et son sel d'addition d'acide, dans laquelle R1 et R2, indépendamment l'un de l'autre, représentent hydrogène, alkyle C1-8 ou cycloalkyle C3-6 éventuellement substitué renfermant C3-8; R3, R4, R5, R6 et R7, indépendamment les uns des autres, représentent hydrogène, halogène, hydroxy, nitro, ester inférieur C1-4, alkyle inférieur C1-4, alcoxy inférieur C1-4, aryle, arylalcoxy ou amine insaturée; 1 est un nombre entier compris entre 0 et 7; m et n, indépendamment l'un de l'autre, sont 0 ou 1; W représente carbone ou azote; X représente oxygène, soufre ou imine éventuellement substituée; Y représente azote ou oxygène; et Z représente hydrogène, alcoxy C1-8, aryloxy, alkylamine C1-4, cycloamine renfermant N1-5 ou un groupe oxo. Les composés répondant à la formule (I) présentent non seulement de fortes activités antitumorales mais également des toxicités réduites, et ils sont de ce fait utilisables comme nouveaux agents antitumoraux.
• Piperazine derivatives and methods for the preparation thereof and
  申请人：Samjin Pharmaceuticazl Co., Ltd.

  公开号：US05780472A1

  公开（公告）日：1998-07-14

  The present invention relates to novel compound of the general formula(I) and acid addition salt thereof. ##STR1## wherein R.sub.1 and R.sub.2 are independently hydrogen, C.sub.1 -C.sub.8 alkyl or optionally substituted C.sub.3 -C.sub.6 membered cycloalkyl containing C.sub.3 -C.sub.8 ; 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 alkoxy, aryl, arylalkoxy or unsaturated amine; l is an integer of 0-7; m and n are independently an integer of 0-1; W is carbon or nitrogen; X is oxygen, sulfur, optionally substituted imine; Y is nitrogen or oxygen; and Z is hydrogen, C.sub.1 -C.sub.8 alkoxy, aryloxy, C.sub.1 -C.sub.4 alkylamine, cycloamine containing N.sub.1 -N.sub.5 or oxo group. The present compounds of the above formula (I) has no only strong antimumor activities but lower toxicities, and accordingly are expected as novel antitumor agents.

  本发明涉及一般式(I)的新化合物及其酸盐。其中R.sub.1和R.sub.2独立地是氢、C.sub.1-C.sub.8烷基或可选择取代的含有C.sub.3-C.sub.6的C.sub.3-C.sub.8环烷基；R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7独立地是氢、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较低烷氧基、芳基、芳基氧基或不饱和胺基；l是0-7的整数；m和n独立地是0-1的整数；W是碳或氮；X是氧、硫、可选择取代的亚胺；Y是氮或氧；Z是氢、C.sub.1-C.sub.8烷氧基、芳氧基、C.sub.1-C.sub.4烷基胺、含N.sub.1-N.sub.5的环胺或氧代基。上述一般式(I)的化合物具有强抗肿瘤活性和较低毒性，因此被期望作为新型抗肿瘤药物。