ethyl β-(o-Nitrobenzylamino)-propionate | 50794-17-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl β-(o-Nitrobenzylamino)-propionate
• 英文别名: Ethyl beta-(o-Nitrobenzylamino)-propionate；ethyl 3-[(2-nitrophenyl)methylamino]propanoate
• CAS: 50794-17-7
• 化学式: C₁₂H₁₆N₂O₄
• mdl: MFCD15491235
• 分子量: 252.27
• InChiKey: DGZTYNPSAPVCHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl β-(o-Nitrobenzylamino)-propionate 在 palladium on activated charcoal 甲酸 、 三乙胺 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 Ethyl 3-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[[2-[[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]acetyl]amino]phenyl]methyl]amino]propanoate
  参考文献：
  名称：

  Backbone Modifications of Aromatic Peptide Nucleic Acid (APNA) Monomers and Their Hybridization Properties with DNA and RNA

  摘要：

  Aromatic peptide nucleic acid (APNA) monomers containing N-(2-aminobenzyl)-glycine, N-(2-aminobenzyl)-(R)- or -(S)-alanine, and N-(2-aminobenzyl)-beta -alanine moieties as part of their backbone were synthesized. These novel analogues were incorporated as a single "point mutation" in PNA hexamers, and their physicochemical properties were investigated by UV thermal denaturation and CD experiments. Destabilization in tripler formation between the PNA-APNA chimeras and complementary DNA or RNA oligomers was observed, as compared to the PNA control. The APNA monomer composed of the N-(2-aminobenzyl)-glycine backbone led to the smallest decrease in the thermal stability of the triplexes formed with DNA and RNA, while maintaining selectivity for base-pairing recognition. Since the PNA-APNA chimeras are more lipophilic than the corresponding PNA homopolymers, these oligomers may also exhibit better cell membrane permeability properties.

  DOI：

  10.1021/jo001650o
• 作为产物：
  描述：

  beta-丙氨酸乙酯盐酸盐 在 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 ethyl β-(o-Nitrobenzylamino)-propionate
  参考文献：
  名称：

  Backbone Modifications of Aromatic Peptide Nucleic Acid (APNA) Monomers and Their Hybridization Properties with DNA and RNA

  摘要：

  Aromatic peptide nucleic acid (APNA) monomers containing N-(2-aminobenzyl)-glycine, N-(2-aminobenzyl)-(R)- or -(S)-alanine, and N-(2-aminobenzyl)-beta -alanine moieties as part of their backbone were synthesized. These novel analogues were incorporated as a single "point mutation" in PNA hexamers, and their physicochemical properties were investigated by UV thermal denaturation and CD experiments. Destabilization in tripler formation between the PNA-APNA chimeras and complementary DNA or RNA oligomers was observed, as compared to the PNA control. The APNA monomer composed of the N-(2-aminobenzyl)-glycine backbone led to the smallest decrease in the thermal stability of the triplexes formed with DNA and RNA, while maintaining selectivity for base-pairing recognition. Since the PNA-APNA chimeras are more lipophilic than the corresponding PNA homopolymers, these oligomers may also exhibit better cell membrane permeability properties.

  DOI：

  10.1021/jo001650o

文献信息

• Optionally substituted
  申请人：Bristol-Myers Company

  公开号：US03932407A1

  公开（公告）日：1976-01-13

  Optionally substituted 1,2,3,5-tetrahydroimidazo[2,1-b]-quinazolin-2-ones and 6-[H]-1,2,3,4-tetrahydropyrimido[2,1-b]-quinazolin-2-ones or the pharmaceutically acceptable salts thereof are compounds useful as blood platelet anti-aggregative and/or antihypertensive and/or bronchodilator agents in mammals, including humans.

  1,2,3,5-四氢咪唑[2,1-b]-喹唑啉-2-酮和6-[H]-1,2,3,4-四氢嘧啶[2,1-b]-喹唑啉-2-酮或其在药学上可接受的盐是对哺乳动物，包括人类，具有抗血小板聚集、抗高血压和/或支气管扩张作用的化合物。
• Lachenalia jacq. f. ex Murray plant named ‘Josephine’
  申请人：AGRICULTURAL RESEARCH COUNCIL

  公开号：USPP031617P3

  公开（公告）日：2020-03-31

  A new and distinct form of Lachenalia plant characterized by a bulb plant type having a spreading growth habit of a height of 15-30 centimetres (cm) and width of 10-15 cm; a hyacinth-like yellow flower with maroon tip which displays very compact inflorescence; and further having a lanceolate leaf form.

  一种新的、独特的拉肯阿利亚植物，其特征为球茎植物类型，具有15-30厘米（cm）高、10-15厘米宽的扩展生长习性；一种水仙花般的黄色花朵，带有栗色的尖端，显示出非常紧密的花序；并且具有长剑形的叶子形态。
• US31617
  申请人：——

  公开号：——

  公开（公告）日：——
• US3932407A
  申请人：——

  公开号：US3932407A

  公开（公告）日：1976-01-13
• USRE31617E
  申请人：——

  公开号：USRE31617E

  公开（公告）日：1984-06-26