1-(4-丁基苯基)哌嗪 | 80835-39-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(4-丁基苯基)哌嗪
• 英文名称: 1-(4-butylphenyl)piperazine
• 英文别名: 4-(4-butyl-phenyl)-piperazine
• CAS: 80835-39-8
• 化学式: C₁₄H₂₂N₂
• mdl: MFCD05182250
• 分子量: 218.342
• InChiKey: WFCVCAFQEAUHQE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-丁基苯基)哌嗪 在 sodium hydroxide 、 三乙胺 作用下， 以 氯仿 、 水 为溶剂， 反应 0.5h， 生成 4-(4-丁基苯基)哌嗪-1-甲腈
  参考文献：
  名称：

  Schroth, W.; Kluge, H.; Frach, R., Journal fur praktische Chemie (Leipzig 1954), 1983, vol. 325, # 5, p. 787 - 802

  摘要：

  DOI：
• 作为产物：
  描述：

  4-正丁基苯胺 、 二(2-氯乙基)胺盐酸盐 以35%的产率得到1-(4-丁基苯基)哌嗪
  参考文献：
  名称：

  Practical Method for Parallel Synthesis of Diversely Substituted 1- henylpiperazines

  摘要：

  已经开发出一种简单实用的方法，用于制备以替代1-苯基哌嗪构建块为内容的“库”，采用并行格式。

  DOI：

  10.2174/157017811799304386

文献信息

• Piperidinyl-and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors
  申请人：Barta E. Thomas

  公开号：US20050009838A1

  公开（公告）日：2005-01-13

  This invention is directed generally to proteinase (also known as “protease”) inhibitors, and, more particularly, to piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids that, inter alia, inhibit matrix metalloproteinase (also known as “matrix metalloprotease” or “MMP”) activity and/or aggrecanase activity. Such hydroxamic acids generally correspond in structure to the following formula: (wherein A 1 , A 2 , Y, E 1 , E 2 , E 3 , and R x are as defined in this specification), and further include salts of such compounds. This invention also is directed to compositions of such hydroxamic acids, intermediates for the syntheses of such hydroxamic acids, methods for making such hydroxamic acids, and methods for treating conditions (particularly pathological conditions) associated with MMP activity and/or aggrecanase activity.

  这项发明通常涉及蛋白酶抑制剂（也称为“蛋白酶”），更具体地涉及对哌啶基和哌嗪基磺酰甲基羟肟酸的抑制作用，其中包括抑制基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这些羟肟酸通常在结构上对应于以下公式： （其中A 1 ，A 2 ，Y，E 1 ，E 2 ，E 3 和R x 如本说明书中所定义），并进一步包括这些化合物的盐。这项发明还涉及这些羟肟酸的组合物，合成这些羟肟酸的中间体，制备这些羟肟酸的方法，以及治疗与MMP活性和/或聚集素酶活性相关的病症（特别是病理性病症）的方法。
• Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors
  申请人：McDonald J. Joseph

  公开号：US20050209278A1

  公开（公告）日：2005-09-22

  This invention is directed generally to proteinase (also known as “protease”) inhibitors, and, more particularly, to piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids that, inter alia, inhibit matrix metalloproteinase (also known as “matrix metalloprotease” or “MMP”) activity and/or aggrecanase activity. Such hydroxamic acids generally correspond in structure to the following formula: (wherein A 1 , A 2 , Y, E 1 , E 2 , E 3 , and R x are as defined in this specification), and further include salts of such compounds. This invention also is directed to compositions of such hydroxamic acids, intermediates for the syntheses of such hydroxamic acids, methods for making such hydroxamic acids, and methods for treating conditions (particularly pathological conditions) associated with MMP activity and/or aggrecanase activity.

  这项发明通常涉及蛋白酶抑制剂（也称为“蛋白酶”），更具体地涉及哌啶基和哌嗪基磺酰甲基羟肟酸，该类化合物在结构上抑制基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这类羟肟酸通常对应以下结构式： （其中A1、A2、Y、E1、E2、E3和Rx如本说明书中所定义），还包括这类化合物的盐。这项发明还涉及这类羟肟酸的组合物、合成这类羟肟酸的中间体、制备这类羟肟酸的方法，以及治疗与MMP活性和/或聚集素酶活性相关的疾病（特别是病理性疾病）的方法。
• 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。
• [EN] PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION<br/>[FR] COMPOSÉS DE PIPÉRIDIN-4-YLPIPÉRAZINE POUR LE TRAITEMENT D'UNE INFECTION À VHC
  申请人：GENOSCIENCE PHARMA

  公开号：WO2010081851A1

  公开（公告）日：2010-07-22

  The invention relates to new piperazine-pieridine compounds having anti-viral activity and particularly anti-HCV activity. The invention further relates to pharmaceutical compositions comprising compounds according to the invention.

  该发明涉及具有抗病毒活性，特别是抗丙型肝炎病毒活性的新哌嗪-哌啶化合物。该发明还涉及包含根据该发明的化合物的药物组合物。
• 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。