2-Pyridineethanamine, N-[[4-(phenylmethoxy)phenyl]methyl]- | 521310-69-0

• 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: 2-Pyridineethanamine, N-[[4-(phenylmethoxy)phenyl]methyl]-
• 英文别名: N-[(4-phenylmethoxyphenyl)methyl]-2-pyridin-2-ylethanamine
• CAS: 521310-69-0
• 化学式: C₂₁H₂₂N₂O
• mdl: MFCD01475283
• 分子量: 318.4
• InChiKey: IHMNOGZFQYKIBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  34.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(2-氨乙基)吡啶 、 4-苄氧基苯甲醛 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 以100 %的产率得到2-Pyridineethanamine, N-[[4-(phenylmethoxy)phenyl]methyl]-
  参考文献：
  名称：

  Carltonine-derived compounds for targeted butyrylcholinesterase inhibition

  摘要：

  Innovative chemotype design provided 41 novel hBChE inhibitors. CNS availability was predicted using the BBB score. Potent derivatives showed favorable drug-like properties and acceptable safety profiles in SH-SY5Y and HepG2 cells.

  DOI：

  10.1039/d4md00060a

文献信息

• Novel anticancer compounds
  申请人：Menon R Sanjay

  公开号：US20050228017A1

  公开（公告）日：2005-10-13

  The present invention relates to compounds of formula (I): (I) their pharmacologically acceptable salts, or solvates and hydrates, and their prodrugs, respectively, and to pharmaceutical compositions containing the same as active ingredient. These novel compounds are especially useful in the treatment of cancer.

  本发明涉及公式（I）的化合物：（I）它们的药理学上可接受的盐，或溶剂和水合物，以及它们的前药，以及包含它们作为活性成分的制药组合物。这些新型化合物在癌症治疗中特别有用。
• NOVEL ANTICANCER COMPOUNDS
  申请人：Morphochem Aktiengesellschaft Für Kombinatorische Chemie

  公开号：EP1442018A1

  公开（公告）日：2004-08-04
• [EN] NOVEL ANTICANCER COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES ANTICANCEREUX
  申请人：MORPHOCHEM AG KOMB CHEMIE

  公开号：WO2003037865A1

  公开（公告）日：2003-05-08

  The present invention relates to compounds of formula (I): (I) their pharmacologically acceptable salts, or solvates and hydrates, and their prodrugs, respectively, and to pharmaceutical compositions containing the same as active ingredient. These novel compounds are especially useful in the treatment of cancer.
• Carltonine-derived compounds for targeted butyrylcholinesterase inhibition
  作者：Filip Pidany、Jana Kroustkova、Jaroslav Jenco、Katerina Hradiska Breiterova、Lubica Muckova、Lucie Novakova、Jiri Kunes、Jakub Fibigar、Tomas Kucera、Martin Novak、Ales Sorf、Martina Hrabinova、Lenka Pulkrabkova、Jiri Janousek、Ondrej Soukup、Daniel Jun、Jan Korabecny、Lucie Cahlikova

  DOI：10.1039/d4md00060a

  日期：——

  Innovative chemotype design provided 41 novel hBChE inhibitors. CNS availability was predicted using the BBB score. Potent derivatives showed favorable drug-like properties and acceptable safety profiles in SH-SY5Y and HepG2 cells.