1-(2-acetoxy-3-phenylthiopropyl)-4-[4,4-bis(4-fluorophenyl)butyl]piperazine | 143759-70-0

• 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: 1-(2-acetoxy-3-phenylthiopropyl)-4-[4,4-bis(4-fluorophenyl)butyl]piperazine
• 英文别名: 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine；[1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl] acetate
• CAS: 143759-70-0
• 化学式: C₃₁H₃₆F₂N₂O₂S
• 分子量: 538.702
• InChiKey: RBGYRZGPRRMUNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  38
• 可旋转键数：
  13
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  58.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-[4,4-双(4-氟苯基)丁基]哌嗪 在 吡啶 、 sodium hydroxide 、 四丁基溴化铵 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 1-(2-acetoxy-3-phenylthiopropyl)-4-[4,4-bis(4-fluorophenyl)butyl]piperazine
  参考文献：
  名称：

  Novel diphenylalkyl piperazine derivatives with dual calcium antagonistic and antioxidative activities

  摘要：

  Two types of novel diphenylalkyl piperazine derivatives containing the thio or aminopropanol moiety substituted by phenyl or benzyl group were synthesized, and evaluated for their calcium antagonistic and antioxidative activities. These compounds showed apparent inhibitions against KCl-induced contractions in isolated rat aorta. Among them, phenylamino compound 9 and benzylamino compound 13 also possessed potent inhibitory activities against auto-oxidative lipid peroxidations in canine brain homogenates. Two representative compounds 3a and 9 were evaluated for their inhibitory activities against KCl-induced contractions in isolated canine arteries (basilar, coronary, mesenteric, and renal). Both compounds showed the most potent inhibitions to basilar artery. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00322-0

文献信息

• Diphenylpiperazine derivative and drug for circulatory organ containing
  申请人：Pola Chemical Industries, Inc.

  公开号：US05391552A1

  公开（公告）日：1995-02-21

  A diphenylpiperazine derivative represented by general formula (1), salt thereof, and drug for the circulatory organs containing the same as the active ingredient: ##STR1## wherein R.sup.1 and R.sup.2 may be the same or different from each other and each represents hydrogen, halogen, alkyl, alkoxy, nitro, amino, hydroxy, optionally esterified carboxyl or trifluoromethyl; R.sup.3 represents hydrogen, alkyl, aralkyl, acyl, nitro or optionally esterified carboxymethyl; Ar represents phenyl or naphthyl which may have one to three substituents such as halogen, alkyl, alkoxy, aryloxy, aralkyloxy, nitro, amino, cyano, acyl, hydroxy, optionally esterified carboxyl, substituted sulfonyl, aryl or trifluoromethyl; Z represents sulfur or -NR.sup.4 - wherein R.sup.4 represents hydrogen, alkyl, aralkyl, acyl, aryl, substituted sulfonyl or optionally esterified carboxyl; m represents a number of 1 to 5; and n represents a number of 0 to 5.

  一种由通式（1）表示的二苯基哌嗪衍生物，其盐，以及含有该衍生物作为活性成分的循环器官药物：##STR1## 其中R.sup.1和R.sup.2可以相同也可以不同，分别表示氢、卤素、烷基、烷氧基、硝基、氨基、羟基、可选择酯化的羧基或三氟甲基；R.sup.3表示氢、烷基、芳基烷基、酰基、硝基或可选择酯化的羧甲基；Ar表示苯基或萘基，可以具有一个到三个卤素、烷基、烷氧基、芳氧基、芳基烷氧基、硝基、氨基、氰基、酰基、羟基、可选择酯化的羧基、取代磺酰基、芳基或三氟甲基等取代基；Z表示硫或-NR.sup.4-，其中R.sup.4表示氢、烷基、芳基烷基、酰基、芳基、取代磺酰基或可选择酯化的羧基；m表示1到5的数字；n表示0到5的数字。
• DIPHENYLPIPERAZINE DERIVATIVE AND DRUG FOR CIRCULATORY ORGAN CONTAINING THE SAME
  申请人：POLA CHEMICAL INDUSTRIES INC

  公开号：EP0549796A1

  公开（公告）日：1993-07-07

  A diphenylpiperazine derivative represented by general formula (1), salt thereof, and drug for the circulatory organs containing the same as the active ingredient: wherein R¹ and R² may be the same or different from each other and each represents hydrogen, halogen, alkyl, alkoxy, nitro, amino, hydroxy, optionally esterified carboxyl or trifluoromethyl; R³ represents hydrogen, alkyl, aralkyl, acyl, nitro or optionally esterified carboxymethyl; Ar represents phenyl or naphthyl which may have one to three substituents such as halogen, alkyl, alkoxy, aryloxy, aralkyloxy, nitro, amino, cyano, acyl, hydroxy, optionally esterified carboxyl, substituted sulfonyl, aryl or trifluoromethyl; Z represents sulfur or -NR⁴- wherein R⁴ represents hydrogen, alkyl, aralkyl, acyl, aryl, substituted sulfonyl or optionally esterified carboxyl; m represents a number of 1 to 5; and n represents a number of 0 to 5.

  由通式（1）代表的二苯基哌嗪衍生物、其盐，以及以其为有效成分的循环器官用药： 其中 R¹ 和 R² 可以相同或互不相同，各自代表氢、卤素、烷基、烷氧基、硝基、氨基、羟基、任选酯化羧基或三氟甲基；R³ 代表氢、烷基、芳烷基、酰基、硝基或任选酯化羧甲基；Ar 代表苯基或萘基，可具有一至三个取代基，如卤素、烷基、烷氧基、芳氧基、芳烷氧基、硝基、氨基、氰基、酰基、羟基、任选酯化羧基、取代磺酰基、芳基或三氟甲基；Z 代表硫或-NR⁴-，其中 R⁴ 代表氢、烷基、芳烷基、酰基、芳基、取代的磺酰基或任选酯化的羧基；m 代表 1 至 5 的数字；以及 n 代表 0 至 5 的数字。
• Diphenylpiperazine derivative and drug for circulatory organ containing the same
  申请人：POLA CHEMICAL INDUSTRIES, INC.

  公开号：EP0612738A1

  公开（公告）日：1994-08-31

  A diphenylpiperazine derivative represented by general formula (1), salt thereof, and drug for the circulatory organs containing the same as the active ingredient: wherein R¹ and R² may be the same or different from each other and each represents hydrogen, halogen, alkyl, alkoxy, nitro, amino, hydroxy, optionally esterified carboxyl or trifluoromethyl; R³ represents hydrogen, alkyl, aralkyl, acyl, nitro or optionally esterified carboxymethyl; Ar represents phenyl or naphthyl which may have one to three substituents such as halogen, alkyl, alkoxy, aryloxy, aralkyloxy, nitro, amino, cyano, acyl, hydroxy, optionally esterified carboxyl, substituted sulfonyl, aryl or trifluoromethyl; Z represents sulfur or -NR⁴- wherein R⁴ represents hydrogen, alkyl, aralkyl, acyl, aryl, substituted sulfonyl or optionally esterified carboxyl; m represents a number of 1 to 5; and n represents a number of 0 to 5.

  由通式（1）代表的二苯基哌嗪衍生物、其盐，以及以其为有效成分的循环器官用药： 其中 R¹ 和 R² 可以相同或互不相同，各自代表氢、卤素、烷基、烷氧基、硝基、氨基、羟基、任选酯化羧基或三氟甲基；R³ 代表氢、烷基、芳烷基、酰基、硝基或任选酯化羧甲基；Ar 代表苯基或萘基，可具有一至三个取代基，如卤素、烷基、烷氧基、芳氧基、芳烷氧基、硝基、氨基、氰基、酰基、羟基、任选酯化羧基、取代磺酰基、芳基或三氟甲基；Z 代表硫或-NR⁴-，其中 R⁴ 代表氢、烷基、芳烷基、酰基、芳基、取代的磺酰基或任选酯化的羧基；m 代表 1 至 5 的数字；以及 n 代表 0 至 5 的数字。
• US5391552A
  申请人：——

  公开号：US5391552A

  公开（公告）日：1995-02-21
• Novel diphenylalkyl piperazine derivatives with dual calcium antagonistic and antioxidative activities
  作者：Makoto Kimura、Tomoko Masuda、Koji Yamada、Nobuo Kubota、Nobuyuki Kawakatsu、Masaki Mitani、Kenichi Kishii、Masato Inazu、Takayuki Namiki

  DOI：10.1016/s0960-894x(02)00322-0

  日期：2002.8

  Two types of novel diphenylalkyl piperazine derivatives containing the thio or aminopropanol moiety substituted by phenyl or benzyl group were synthesized, and evaluated for their calcium antagonistic and antioxidative activities. These compounds showed apparent inhibitions against KCl-induced contractions in isolated rat aorta. Among them, phenylamino compound 9 and benzylamino compound 13 also possessed potent inhibitory activities against auto-oxidative lipid peroxidations in canine brain homogenates. Two representative compounds 3a and 9 were evaluated for their inhibitory activities against KCl-induced contractions in isolated canine arteries (basilar, coronary, mesenteric, and renal). Both compounds showed the most potent inhibitions to basilar artery. (C) 2002 Elsevier Science Ltd. All rights reserved.