(1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic Acid | 318473-83-5

• 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: (1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic Acid
• CAS: 318473-83-5
• 化学式: C₁₃H₁₅NO₄
• 分子量: 249.266
• InChiKey: PACLTKCARBDZGA-SDDRHHMPSA-N

物化性质

• 沸点：
  408.6±45.0 °C(Predicted)
• 密度：
  1.335±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic Acid 在 lithium hydroxide 、 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 methyl (1S,5S,7R)-3-[(1S,5S,7R)-3-[(1S,5S,7R)-3-[(1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carbonyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate
  参考文献：
  名称：

  Oligomers of Enantiopure Bicyclic γ/δ-Amino Acids (BTAa). 1. Synthesis and Conformational Analysis of 3-Aza-6,8-dioxabicyclo[3.2.1]octane-7-carboxylic Acid Oligomers (PolyBTG)

  摘要：

  A series of dimeric through pentameric oligomers of a bicyclic gamma/delta -amino acid (BTG) were synthesized using peptide coupling methods in solution with PyBroP or HATU. The analysis of H-1 NMR and Co spectra suggests that these oligomers could have a partially ordered structure in alcohol solutions.

  DOI：

  10.1021/ol006548s
• 作为产物：
  描述：

  methyl (1R,5S,7R)-3-benzyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate 在 盐酸 、 dimethyl sulfide borane 作用下， 反应 21.0h， 生成 (1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic Acid
  参考文献：
  名称：

  Oligomers of Enantiopure Bicyclic γ/δ-Amino Acids (BTAa). 1. Synthesis and Conformational Analysis of 3-Aza-6,8-dioxabicyclo[3.2.1]octane-7-carboxylic Acid Oligomers (PolyBTG)

  摘要：

  A series of dimeric through pentameric oligomers of a bicyclic gamma/delta -amino acid (BTG) were synthesized using peptide coupling methods in solution with PyBroP or HATU. The analysis of H-1 NMR and Co spectra suggests that these oligomers could have a partially ordered structure in alcohol solutions.

  DOI：

  10.1021/ol006548s

文献信息

• Pharmaceutical compositions for the treatment of diseases related to neurotrophines
  申请人：Guarna Antonio

  公开号：US20060069092A1

  公开（公告）日：2006-03-30

  The present invention refers to pharmaceutical preparations including as active compounds 3-aza-bicyclo[3.2.1]octane derivatives of general formula (I) and/or their dimers of general formula (II) and (III) acting as agonists of human neurotrophines. Therefore, such compounds of formula (I), (II) and (III) are useful for treatment of diseases in which the neurotrophine functions are involved in defect, particularly of Nerve Growth Factor (NGF), such as neurodegenerative diseases of central nervous system (CNS), acquired immunodeficiency due to a reduced NGF biodisponibility, or morbous conditions in which the stimulus of neoangiogenesis process is convenient.

  本发明涉及药物制剂，包括作为活性化合物的一般式(I)的3-aza-bicyclo[3.2.1]辛烷衍生物及/或其一般式(II)和(III)的二聚体，作为人类神经营养因子的激动剂。因此，公式(I)，(II)和(III)的这些化合物对于治疗神经营养因子功能缺陷所涉及的疾病特别是神经系统中枢的神经退行性疾病、由于减少NGF生物可用性而导致的获得性免疫缺陷或刺激新血管生成过程方便的病态条件是有用的。
• US7625892B2
  申请人：——

  公开号：US7625892B2

  公开（公告）日：2009-12-01
• Oligomers of Enantiopure Bicyclic γ/δ-Amino Acids (BTAa). 1. Synthesis and Conformational Analysis of 3-Aza-6,8-dioxabicyclo[3.2.1]octane-7-carboxylic Acid Oligomers (PolyBTG)
  作者：Fabrizio Machetti、Alessandro Ferrali、Gloria Menchi、Ernesto G. Occhiato、Antonio Guarna

  DOI：10.1021/ol006548s

  日期：2000.12.1

  A series of dimeric through pentameric oligomers of a bicyclic gamma/delta -amino acid (BTG) were synthesized using peptide coupling methods in solution with PyBroP or HATU. The analysis of H-1 NMR and Co spectra suggests that these oligomers could have a partially ordered structure in alcohol solutions.