4-[4,4'-二(三氟甲基)二苯甲基]哌嗪 | 104523-09-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-[4,4'-二(三氟甲基)二苯甲基]哌嗪
• 中文别名: 哌嗪,1-[二[4-(三氟甲基)苯基]甲基]-
• 英文名称: 4-[4,4'-di(trifluoromethyl)benzhydryl]piperazine
• 英文别名: N-[bis(4-trifluoromethylphenyl)methyl]piperazine；1-(Bis[4-(trifluoromethyl)phenyl]methyl)piperazine；1-[bis[4-(trifluoromethyl)phenyl]methyl]piperazine
• CAS: 104523-09-3
• 化学式: C₁₉H₁₈F₆N₂
• mdl: MFCD04966881
• 分子量: 388.356
• InChiKey: CYXSXBNQGOSZOH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  27
• 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：
  15.3
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-[4,4'-二(三氟甲基)二苯甲基]哌嗪 在 碳酸氢钠 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 40.0h， 生成 1-[4-[bis[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-3-(7H-purin-6-ylsulfanyl)propan-2-ol
  参考文献：
  名称：

  Synthesis and structure-activity relationship of 6-substituted purine derivatives as novel selective positive inotropes

  摘要：

  A series of purine derivatives was prepared and examined for selective inotropic activity in vitro and in vivo. Thioether-linked derivatives were superior to their oxygen and nitrogen isosteres. Substitution of electron-withdrawing groups on the benzhydryl moiety of these agents increased potency. The best compound of the study, 17 (carsatrin), was examined further and demonstrated selective oral activity as a positive inotrope. These compounds are presumed to act by affecting the kinetics of the cardiac sodium channel by analogy to the prototypic agent DPI 201106 (1). Their high selectivity for increasing contractile force and dP/dt without affecting blood pressure or heart rate is consistent with this mechanism. Carsatrin (17) was selected as a potential development candidate.

  DOI：

  10.1021/jm00102a001
• 作为产物：
  描述：

  N-(ethoxycarbonyl)-N'-[bis(4-trifluoromethyl phenyl)methyl]piperazine 在 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 4-[4,4'-二(三氟甲基)二苯甲基]哌嗪
  参考文献：
  名称：

  US2007

  摘要：

  公开号：

文献信息

• N-(substituted arylmethyl)-4-(disubstituted methyl)piperidines and piperazines
  申请人：Ding Ping

  公开号：US20060166962A1

  公开（公告）日：2006-07-27

  It has now been found that certain novel N-(substituted aryl)-4-(disubstituted methyl)piperidine and pyridine derivatives have provided unexpected insecticidal activity. These compounds are represented by formula (I): wherein m, n, q, r, and s are independently selected from 0 or 1; and p is 0, 1, 2, or 3; A is CH or N; and B, D, E, R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 and R 8 are fully described herein. In addition, compositions comprising an insecticidally effective amount of at least one compound of formula I, and optionally, an effective amount of at least one of a second compound, with at least one insecticidally compatible carrier are also disclosed; along with methods of controlling insects comprising applying said compositions to a locus where insects are present or are expected to be present.

  现在已经发现某些新型N-（取代芳基）-4-（二取代甲基）哌啶和吡啶衍生物具有意外的杀虫活性。这些化合物由公式（I）表示：其中m、n、q、r和s独立地选自0或1；p为0、1、2或3；A为CH或N；B、D、E、R、R1、R2、R3、R4、R5、R6、R7和R8在此完全描述。此外，还披露了包含公式I中至少一种化合物的杀虫有效量的组合物，以及可选地，至少一种第二化合物的有效量，具有至少一种杀虫兼容载体；以及用于控制昆虫的方法，包括将所述组合物施用到昆虫存在或预计存在的地点。
• TROPOLONE DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF FOR PREVENTING AND TREATING ISCHEMIC DISEASES
  申请人：PHARMACIA & UPJOHN COMPANY

  公开号：EP0546102B1

  公开（公告）日：1997-10-15
• N-(SUBSTITUTED ARYLMETHYL)-4-(DISUBSTITUTED METHYL)PIPERIDINES AND PIPERAZINES
  申请人：FMC CORPORATION

  公开号：EP1572668A2

  公开（公告）日：2005-09-14
• EP1572668A4
  申请人：——

  公开号：EP1572668A4

  公开（公告）日：2006-12-06
• US5594144A
  申请人：——

  公开号：US5594144A

  公开（公告）日：1997-01-14