1-(diphenylmethyl)-4-butylpiperazine | 87887-39-6

• 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-(diphenylmethyl)-4-butylpiperazine
• 英文别名: 1-benzhydryl-4-butyl-piperazine；1-Benzhydryl-4-butyl-piperazin；1-Benzhydryl-4-butylpiperazine
• CAS: 87887-39-6
• 化学式: C₂₁H₂₈N₂
• 分子量: 308.467
• InChiKey: UEPORVPTCYCKAZ-UHFFFAOYSA-N

物化性质

• 熔点：
  52.1 °C
• 沸点：
  200 °C(Press: 0.1 Torr)
• 密度：
  1.023±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-丁基-1-哌嗪羧酸乙酯 在 盐酸 、 sodium carbonate 、 xylene 作用下， 生成 1-(diphenylmethyl)-4-butylpiperazine
  参考文献：
  名称：

  Histamine Antagonists. II.¹ Unsymmetrical 1,4-Disubstituted Piperazines

  摘要：

  DOI：

  10.1021/ja01176a038

文献信息

• Arginase Inhibitors and Methods of Use Thereof
  申请人：Tomczuk Bruce Edward

  公开号：US20120171116A1

  公开（公告）日：2012-07-05

  The present invention includes arginase enzyme inhibitors, compositions comprising these arginase inhibitors, and methods of treating or diagnosing conditions characterized either by abnormally high arginase activity or abnormally low nitric oxide levels in a mammal, comprising administering compositions of the invention to the mammal.

  本发明包括精氨酸酶抑制剂，包括这些精氨酶抑制剂的组合物，以及治疗或诊断以哺乳动物体内精氨酶活性异常高或一氧化氮水平异常低为特征的疾病的方法，包括将本发明的组合物给哺乳动物进行治疗。
• Carbamates from Secondary Amines and Alkyl Chlorides under Phase-Transfer Conditions
  作者：Vicente Gómez-Parra、Félix Sánchez、Tomás Torres

  DOI：10.1055/s-1985-31178

  日期：——
• Gomez-Parra, Vicente; Sanchez, Felix; Torres, Tomas, Journal of the Chemical Society. Perkin transactions II, 1987, p. 695 - 698
  作者：Gomez-Parra, Vicente、Sanchez, Felix、Torres, Tomas

  DOI：——

  日期：——
• Percutaneous absorption of cyclizine and its alkyl analogues
  作者：L. Mishack Monene、Colleen Goosen、Jaco C. Breytenbach、Jonathan Hadgraft、Jeanetta du Plessis

  DOI：10.1016/j.ejps.2004.11.001

  日期：2005.2

  Cyclizine (I) alkyl analogues (II-IV) were synthesized and their skin permeation parameters evaluated in vitro. It was hoped that these compounds would possess physicochemical properties more favourable for percutaneous delivery than (I). The identification and levels of purity for the compounds were confirmed by mass spectrometry (MS), nuclear magnetic resonance (NMR) spectrometry, and infrared spectrometry (IR) while melting points were determined by an electrothermal digital Bupsilonchi melting point apparatus. Aqueous solubilities (25 degrees C) and partition coefficients were determined and in vitro permeation studies were performed in buffer (37 degrees C) at pH 7.4 over a period of 24 h, using Franz diffusion cells fitted with human epidermal membranes. Generally, the analogues were more lipophilic, but nevertheless possessed higher aqueous solubilities as compared to (I). (II) and (IV) exhibited two- to three-fold increase in aqueous solubility and their melting temperatures dropped by more than 55 degrees C. Compound (III) had similar aqueous solubility to (I), but its melting point dropped by about 35 degrees C. Measured steady-state fluxes indicated that (II) is a far better penetrant (J=6.95 microg/cm(2)/h) of human epidermis than (I). Although fluxes of (III) and (IV) drop off markedly from that of (II), they remained above the flux of (I), which is (0.132 microg/cm(2)/h). In conclusion, (II) was the best skin permeant and also exhibited the highest aqueous solubility and lowest level of crystallinity as compared to (I) and other analogues. (III) and (IV) were more lipophilic. The overall permeation data of this series indicated that the more water-soluble and the lowest melting point compound was the best skin permeant.
• GOMEZ-PARRA, V.;SANCHEZ, F.;TORRES, T., SYNTHESIS, BRD, 1985, N 3, 282-285
  作者：GOMEZ-PARRA, V.、SANCHEZ, F.、TORRES, T.

  DOI：——

  日期：——