N-(cyclopropylmethyl)-N-[3-(1H-imidazol-1-yl)propyl]amine | 290328-47-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(cyclopropylmethyl)-N-[3-(1H-imidazol-1-yl)propyl]amine
• 英文别名: N-cyclopropylmethyl-3-(1H)-imidazolylpropylamine；(Cyclopropylmethyl)[3-(1H-imidazol-1-yl)propyl]amine；N-(cyclopropylmethyl)-3-imidazol-1-ylpropan-1-amine
• CAS: 290328-47-1
• 化学式: C₁₀H₁₇N₃
• mdl: MFCD12109225
• 分子量: 179.265
• InChiKey: GQWIDMUWDVRQST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(cyclopropylmethyl)-N-[3-(1H-imidazol-1-yl)propyl]amine 、 (2R)-2-((4-chloro-N-(5-chloro-2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)phenyl)phenyl)sulfonamido)propyl (4-nitrophenyl) carbonate 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 C₃₂H₄₀Cl₂N₄O₆S
  参考文献：
  名称：

  Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase

  摘要：

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.102
• 作为产物：
  描述：

  N-(3-imidazol-1-ylpropyl)cyclopropanecarboxamide 在 lithium aluminium tetrahydride 、 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 75.0h， 以57%的产率得到N-(cyclopropylmethyl)-N-[3-(1H-imidazol-1-yl)propyl]amine
  参考文献：
  名称：

  Sulfonamide compounds and uses thereof

  摘要：

  根据本发明，提供了一类新型的磺胺类化合物。该发明的化合物含有一个核心磺胺基团。连接到磺胺基团的硫原子和氮原子的可变基团包括取代或未取代的烃基团、取代或未取代的杂环基团、多环基团、卤素、烷氧基、醚、酯、酰胺、磺酰、磺胺基、硫醚、碳酸酯等。该发明的化合物具有各种用途。例如，磺胺类化合物可以调节淀粉样蛋白β的产生，并可用于预防或治疗多种疾病。还提供了含有该发明化合物的药物组合物。这些组合物在预防或治疗多种疾病方面具有广泛的用途。

  公开号：

  US06967196B1

文献信息

• NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF
  申请人：MERCK & CO., INC.

  公开号：EP1159263A1

  公开（公告）日：2001-12-05
• US6967196B1
  申请人：——

  公开号：US6967196B1

  公开（公告）日：2005-11-22
• [EN] NOVEL SULFONAMIDE COMPOUNDS AND USES THEREOF<br/>[FR] NOUVEAUX COMPOSES DE SULFONAMIDE ET UTILISATIONS CORRESPONDANTES
  申请人：MERCK & CO INC

  公开号：WO2000050391A1

  公开（公告）日：2000-08-31

  In accordance with the present invention, there is provided a novel class of sulfonamide compounds. Compounds of the invention contain a core sulfonamide group. Variable moieties connected to the sulfur atom and nitrogen atom of the sulfonamide group include substituted or unsubstituted hydrocarbyl moieties, substituted or unsubstituted heterocycle moieties, polycyclic moieties, halogen, alkoxy, ether, ester, amide, sulfonyl, sulfonamidyl, sulfide, carbamate, and the like. Invention compounds are capable of a wide variety of uses. For example sulfonamide compounds can act to modulate production of amyloid β protein and are useful in the prevention or treatment of a variety of diseases. Pharmaceutical compositions containing invention compounds are also provided. Such compositions have wide utility for the prevention or treatment of a variety of diseases.
• Carbamate-appended N-alkylsulfonamides as inhibitors of γ-secretase
  作者：Carl P. Bergstrom、Charles P. Sloan、Wai-Yu Lau、David W. Smith、Ming Zheng、Steven B. Hansel、Craig T. Polson、Jason A. Corsa、Donna M. Barten、Kevin M. Felsenstein、Susan B. Roberts

  DOI：10.1016/j.bmcl.2007.11.102

  日期：2008.1

  The synthesis and gamma-secretase inhibition data for a series of carbamate-appended N-alkylsulfonamides are described. Carbamate 54 was found to significantly reduce brain A beta in transgenic mice. 54 was also found to possess markedly improved brain levels in transgenic mice compared to previously disclosed 1 and 2. (c) 2007 Elsevier Ltd. All rights reserved.
• Sulfonamide compounds and uses thereof
  申请人：Smith David W.

  公开号：US06967196B1

  公开（公告）日：2005-11-22

  In accordance with the present invention, there is provided a novel class of sulfonamide compounds. Compounds of the invention contain a core sulfonamide group. Variable moieties connected to the sulfur atom and nitrogen atom of the sulfonamide group include substituted or unsubstituted hydrocarbyl moieties, substituted or unsubstituted heterocycle moieties, polycyclic moieties, halogen, alkoxy, ether, ester, amide, sulfonyl, sulfonamidyl, sulfide, carbamate, and the like. Invention compounds are capable of a wide variety of uses. For example sulfonamide compounds can act to modulate production of amyloid β protein and are useful in the prevention or treatment of a variety of diseases. Pharmaceutical compositions containing invention compounds are also provided. Such compositions have wide utility for the prevention or treatment of a variety of diseases.

  根据本发明，提供了一类新型的磺胺类化合物。该发明的化合物含有一个核心磺胺基团。连接到磺胺基团的硫原子和氮原子的可变基团包括取代或未取代的烃基团、取代或未取代的杂环基团、多环基团、卤素、烷氧基、醚、酯、酰胺、磺酰、磺胺基、硫醚、碳酸酯等。该发明的化合物具有各种用途。例如，磺胺类化合物可以调节淀粉样蛋白β的产生，并可用于预防或治疗多种疾病。还提供了含有该发明化合物的药物组合物。这些组合物在预防或治疗多种疾病方面具有广泛的用途。