N-(4-methoxy-2-nitrophenyl)-β-alanine | 79514-58-2

• 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: N-(4-methoxy-2-nitrophenyl)-β-alanine
• 英文别名: N-(methoxy-4' nitro-2' phenyl)-β-alanine；3-(4-methoxy-2-nitrophenylamino)propionic acid；3-(4-methoxy-2-nitroanilino)propanoic acid
• CAS: 79514-58-2
• 化学式: C₁₀H₁₂N₂O₅
• mdl: MFCD09941879
• 分子量: 240.216
• InChiKey: JVCCKMFYEXWTJT-UHFFFAOYSA-N

物化性质

• 熔点：
  130-131 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  492.8±45.0 °C(Predicted)
• 密度：
  1.393±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-(4-methoxy-2-nitrophenyl)-β-alanine 在 镍 lithium aluminium tetrahydride 、 氯化亚砜 、 溴化氰 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 N,N-diethyl-2-(8-methoxy-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethanamine
  参考文献：
  名称：

  Szarvasi; Festal; Grand, European Journal of Medicinal Chemistry, 1981, vol. 16, # 4, p. 327 - 332

  摘要：

  DOI：
• 作为产物：
  描述：

  (methoxy-4' nitro-2' anilino)-3 propionitrile 在 硫酸 作用下， 以 水 为溶剂， 以58%的产率得到N-(4-methoxy-2-nitrophenyl)-β-alanine
  参考文献：
  名称：

  Szarvasi; Festal; Grand, European Journal of Medicinal Chemistry, 1981, vol. 16, # 4, p. 327 - 332

  摘要：

  DOI：

文献信息

• 4,5-dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US05151431A1

  公开（公告）日：1992-09-29

  The present invention relates to novel 4,5-dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid compounds, processes for producing said compounds, intermediate compounds, i.e. novel 4,5-dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one compounds and 4,5-dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime compounds in the synthesis of said compounds, processes for producing said intermediate compounds, and pharmaceutical or veterinary compositions containing said compounds. The present invention is based on the selection of the substituents of 4,5-dihydro-6H-imidazo[4,5,1-ij]-quinolin-6-one-6-oxime-O-sulfonic acid compounds at 2-position, namely 2-(2-penten-3-yl)-, 2-cyclohexyl-, 2-naphthyl-, 2-thienyl-, etc. The compounds of the present invention containing these substituents have potent hypotensive, anti-oedematous and diuretic effects as well as an activity of removing ascites. The compounds of the present invention are extremely useful for treatment of diseases and disorders mentioned above.

  本发明涉及新颖的4,5-二氢-6H-咪唑[4,5,1-ij]喹啉-6-酮-6-肟-O-磺酸化合物，制备该化合物的方法，中间体化合物，即新颖的4,5-二氢-6H-咪唑[4,5,1-ij]喹啉-6-酮化合物和4,5-二氢-6H-咪唑[4,5,1-ij]喹啉-6-酮-6-肟化合物在合成该化合物时的作用，制备该中间体化合物的方法，以及含有该化合物的制药或兽药组合物。本发明基于在4,5-二氢-6H-咪唑[4,5,1-ij]-喹啉-6-酮-6-肟-O-磺酸化合物的2-位置选择取代基，即2-(2-戊烯-3-基)-、2-环己基-、2-萘基-、2-噻吩基等。含有这些取代基的本发明化合物具有强效的降压、抗水肿和利尿作用，以及去除腹水的活性。本发明的化合物对于治疗上述疾病和疾患非常有用。
• 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP0405442A1

  公开（公告）日：1991-01-02

  The present invention relates to novel 4,5-dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-0-sulfonic acid compounds, processes for producing said compounds, intermediate compounds, i.e. novel 4,5-dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one compounds and 4,5-dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime compounds in the synthesis of said compounds, processes for producing said intermediate compounds, and pharmaceutical or veterinary compositions containing said compounds. The present invention is based on the selection of the substituents of 4,5-dihydro-6H-imidazo[4,5,1-ij]-quinolin-6-one-6-oxime-O-sulfonic acid compounds at 2-position, namely 2-(2-penten-3-yl)-, 2-cyclohexyl-, 2-naphthyl-, 2-thienyl-, etc. The compounds of the present invention containing these substituents have potent- hypotensive, antioedematous and diuretic effects as well as an activity of removing ascites. The compounds of the present invention are extremely useful for treatment of diseases and disorders mentioned above.

  本发明涉及新型 4,5-二氢-6H-咪唑并[4,5,1-ij]喹啉-6-酮-6-肟-0-磺酸化合物、生产上述化合物的工艺、中间化合物，即新型 4,5-二氢-6H-咪唑并[4,5,1-ij]喹啉-6-酮化合物和合成所述化合物的 4,5-二氢-6H-咪唑并[4,5,1-ij]喹啉-6-酮-6-肟化合物，生产所述中间化合物的工艺，以及含有所述化合物的药物或兽药组合物。 本发明基于对 4,5-二氢-6H-咪唑并[4,5,1-ij]-喹啉-6-酮-6-肟-O-磺酸化合物 2-位取代基的选择，即 2-(2-戊烯-3-基)-、2-环己基-、2-萘基-、2-噻吩基-等。 含有这些取代基的本发明化合物具有强效降血压、消肿和利尿作用，并具有去除腹水的活性。本发明的化合物对治疗上述疾病和失调非常有用。
• Clozapine derived 2,3-dihydro-1H-1,4- and 1,5-benzodiazepines with D4 receptor selectivity: synthesis and biological testing
  作者：Thomas Hussenether、Harald Hübner、Peter Gmeiner、Reinhard Troschütz

  DOI：10.1016/j.bmc.2004.03.023

  日期：2004.5

  Novel 4-arylpiperazin-l-yl-substituted 2,3-dihydro-1H-1,4- and 1H-1,5-benzodiazepines and their aza-analogues were synthesized as debenzoclozapine derivatives for evaluation as potential D4-ligands. While K-i values of some of the title compounds came within the range of clozapine, they showed an impressively greater selectivity over other dopamine receptor subtypes, especially D2. For the most promising compounds, intrinsic activity and binding properties to serotonin 5-HT1(A) and 5-HT2 were also determined. (C) 2004 Elsevier Ltd. All rights reserved.
• US5151431A
  申请人：——

  公开号：US5151431A

  公开（公告）日：1992-09-29
• Szarvasi; Festal; Grand, European Journal of Medicinal Chemistry, 1981, vol. 16, # 4, p. 327 - 332
  作者：Szarvasi、Festal、Grand、et al.

  DOI：——

  日期：——