Ethyl 9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate | 489476-23-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: Ethyl 9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate
• CAS: 489476-23-5
• 化学式: C₁₆H₃₁NO₄
• 分子量: 301.426
• InChiKey: ANDDUOBORDMNHC-UHFFFAOYSA-N

物化性质

• 沸点：
  391.0±25.0 °C(Predicted)
• 密度：
  0.977±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl 9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 以4.40 g的产率得到ethyl 9-aminononanoate hydrochloride
  参考文献：
  名称：

  Novel Heterobivalent Tacrine Derivatives as Cholinesterase Inhibitors with Notable Selectivity Toward Butyrylcholinesterase

  摘要：

  Two series of novel heterobivalent tacrine derivatives were synthesized. A trimethoxy substituted benzene was linked to the tacrine moiety by a hydrazide-based linker. The compounds were evaluated as cholinesterase inhibitors, and trimethoxybenzoic acid derivatives with 11- or 12-atom spacers were the most potent inhibitors of human acetylcholinesterase. The inhibitors showed a surprising selectivity toward human butyrylcholinesterase, where several trimethoxyphenylpropionic acid derivatives had IC50 values less than 250 mu M.

  DOI：

  10.1021/jm060742o
• 作为产物：
  描述：

  癸二酸氢乙酯 在 二苯基膦叠氮化物 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 14.0h， 生成 Ethyl 9-[(2-methylpropan-2-yl)oxycarbonylamino]nonanoate
  参考文献：
  名称：

  Novel Heterobivalent Tacrine Derivatives as Cholinesterase Inhibitors with Notable Selectivity Toward Butyrylcholinesterase

  摘要：

  Two series of novel heterobivalent tacrine derivatives were synthesized. A trimethoxy substituted benzene was linked to the tacrine moiety by a hydrazide-based linker. The compounds were evaluated as cholinesterase inhibitors, and trimethoxybenzoic acid derivatives with 11- or 12-atom spacers were the most potent inhibitors of human acetylcholinesterase. The inhibitors showed a surprising selectivity toward human butyrylcholinesterase, where several trimethoxyphenylpropionic acid derivatives had IC50 values less than 250 mu M.

  DOI：

  10.1021/jm060742o

文献信息

• [EN] AROMATIC GUANYLHYDRAZONES AS EFFECTIVE COMPOUNDS AGAINST NEURODISEASES<br/>[FR] GUANYLHYDRAZONES AROMATIQUES UTILISES COMME COMPOSES EFFICACES CONTRE LES MALADIES NERVEUSES
  申请人：AXXIMA PHARMACEUTICALS AG

  公开号：WO2003006426A1

  公开（公告）日：2003-01-23

  The present invention provides novel aromatic guanylhydrazone compounds and relates to the use of a class of aromatic guanylhydrazones compounds as pharmaceutically active agents, especially for the prophylaxis and/or treatment of neurodiseases such as addiction, alzheimer's disease, anxiety disorders, autism, blindness, cerebral palsy, chronic fatigue syndrome, Chorea Huntington, depression, dyslexia, epilepsy, infectious diseases, prion diseases, prion infections, multiple sclerosis, muscular dystrophy, neurology, neurotoxicities, pain, parkinson's disease, schizophrenia, sleep disorders, stress, stroke, tourette syndrome, and tumors. Furthermore, the present invention relates to pharmaceutical compositions containing at least one aromatic guanylhydrazone compound and/or pharmaceutically acceptable salt thereof. These pharmaceutical compositions can be used within methods for preventing and/or treating neurological and/or mental diseases, especially prion infections and prion diseases.
• Novel Heterobivalent Tacrine Derivatives as Cholinesterase Inhibitors with Notable Selectivity Toward Butyrylcholinesterase
  作者：Paul W. Elsinghorst、Camino M. González Tanarro、Michael Gütschow

  DOI：10.1021/jm060742o

  日期：2006.12.1

  Two series of novel heterobivalent tacrine derivatives were synthesized. A trimethoxy substituted benzene was linked to the tacrine moiety by a hydrazide-based linker. The compounds were evaluated as cholinesterase inhibitors, and trimethoxybenzoic acid derivatives with 11- or 12-atom spacers were the most potent inhibitors of human acetylcholinesterase. The inhibitors showed a surprising selectivity toward human butyrylcholinesterase, where several trimethoxyphenylpropionic acid derivatives had IC50 values less than 250 mu M.