(4S,5R)-methyl 5-(2-methylphenyl)-2,2-diethyl-1,3-dioxolane-4-carboxylate

• 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: (4S,5R)-methyl 5-(2-methylphenyl)-2,2-diethyl-1,3-dioxolane-4-carboxylate
• 英文别名: methyl (4S,5R)-2,2-diethyl-5-(2-methylphenyl)-1,3-dioxolane-4-carboxylate
• 化学式: C₁₆H₂₂O₄
• 分子量: 278.348
• InChiKey: BJIFYZSPIGVZPX-KGLIPLIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (4S,5R)-methyl 5-(2-methylphenyl)-2,2-diethyl-1,3-dioxolane-4-carboxylate 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 以95%的产率得到((4R,5R)-5-(2-methylphenyl)-2,2-diethyl-1,3-dioxolane-4-yl)methanol
  参考文献：
  名称：

  [EN] SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING A PSYCHIATRIC DISORDER
  [FR] COMPOSÉS DE DÉRIVÉ DE SULFAMATE DESTINÉS À ÊTRE UTILISÉS POUR TRAITER OU SOULAGER UN TROUBLE PSYCHIATRIQUE

  摘要：

  本发明涉及一种用于治疗和/或缓解精神障碍的药物组合物，其包括磺酰胺衍生物化合物和/或其药学上可接受的盐作为活性成分。此外，本发明涉及一种用于诱导抗压、抗焦虑和/或抗抑郁活性的药物组合物，其包括磺酰胺衍生物化合物和/或其药学上可接受的盐作为活性成分。

  公开号：

  WO2022054987A1
• 作为产物：
  描述：

  (2S,3R)-methyl 3-(2-methylphenyl)-2,3-dihydroxypropanoate 、 3-戊酮 在 硫酸 作用下， 以85%的产率得到(4S,5R)-methyl 5-(2-methylphenyl)-2,2-diethyl-1,3-dioxolane-4-carboxylate
  参考文献：
  名称：

  [EN] SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING A PSYCHIATRIC DISORDER
  [FR] COMPOSÉS DE DÉRIVÉ DE SULFAMATE DESTINÉS À ÊTRE UTILISÉS POUR TRAITER OU SOULAGER UN TROUBLE PSYCHIATRIQUE

  摘要：

  本发明涉及一种用于治疗和/或缓解精神障碍的药物组合物，其包括磺酰胺衍生物化合物和/或其药学上可接受的盐作为活性成分。此外，本发明涉及一种用于诱导抗压、抗焦虑和/或抗抑郁活性的药物组合物，其包括磺酰胺衍生物化合物和/或其药学上可接受的盐作为活性成分。

  公开号：

  WO2022054987A1

文献信息

• [EN] PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME<br/>[FR] COMPOSÉ DE SULFAMATE DE PHÉNYLALKYLE ET COMPOSITION MYORELAXANTE LE CONTENANT
  申请人：BIO PHARM SOLUTIONS CO LTD

  公开号：WO2013187727A1

  公开（公告）日：2013-12-19

  The present invention relates to novel phenylalkyl sulfamate compounds, a method for preventing or treating a disease associated with muscle spasm. The present invention ensures the enhancement of muscle relaxation activity essential for alleviation of muscle spasm, such that it is promising for preventing or treating various diseases associated with muscle spasm.

  本发明涉及新型苯基烷基磺酰胺化合物，一种用于预防或治疗与肌肉痉挛相关疾病的方法。本发明确保增强肌肉松弛活性，这对于缓解肌肉痉挛至关重要，因此有望预防或治疗与肌肉痉挛相关的各种疾病。
• PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME
  申请人：BIO-PHARM SOLUTIONS CO., LTD.

  公开号：US20150266848A1

  公开（公告）日：2015-09-24

  The present invention relates to novel phenylalkyl sulfamate compounds, a method for preventing or treating a disease associated with muscle spasm. The present invention ensures the enhancement of muscle relaxation activity essential for alleviation of muscle spasm, such that it is promising for preventing or treating various diseases associated with muscle spasm.

  本发明涉及一种新型的苯基烷基磺酰胺化合物，以及一种预防或治疗与肌肉痉挛有关的疾病的方法。本发明确保增强肌肉松弛活性，这对于缓解肌肉痉挛至关重要，因此本发明有望预防或治疗与肌肉痉挛有关的各种疾病。
• Sulfamate Derivative Compound for Use in Preventing or Treating Epilepsy
  申请人：BIO-PHARM SOLUTIONS, CO., LTD.

  公开号：US20160310461A1

  公开（公告）日：2016-10-27

  The present invention relates to a pharmaceutical composition for treating or preventing epilepsy containing a sulfamate derivative compound and/or pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a method for treatment or prevention epilepsy comprising administering a sulfamate derivative compound in a pharmaceutically effective amount to a subject in need of treatment or prevention of epilepsy.
• Sulfamate Derivative Compounds for Use in Treating or Alleviating Pain
  申请人：BIO-PHARM SOLUTIONS ,CO., LTD

  公开号：US20160318894A1

  公开（公告）日：2016-11-03

  The present invention relates to sulfamate derivative compounds and a composition for treating and/or alleviating pain containing the sulfamate derivative compounds or a pharmaceutically acceptable salt thereof as an active ingredient. More specifically, the present invention relates to a pharmaceutical composition for treating or alleviating pain containing a sulfamate derivative compound and/or a pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a method for treatment or alleviation of pain comprising administering a sulfamate derivative compound in a pharmaceutically effective amount to a subject in need of treatment or alleviation of pain; and a use of the sulfamate derivative compound or the pharmaceutically acceptable salt thereof in treating and/or alleviating pain, are provided.
• SULFAMATE DERIVATIVE COMPOUNDS FOR USE IN TREATING OR ALLEVIATING A PSYCHIATRIC DISORDER
  申请人：Bio-Pharm Solutions Co., Ltd.

  公开号：US20220218702A1

  公开（公告）日：2022-07-14

  The present invention relates to a pharmaceutical composition for treating and/or alleviating a psychiatric disorder comprising a sulfamate derivative compound and/or a pharmaceutically acceptable salt thereof as an active ingredient. Furthermore, the present invention relates to a pharmaceutical composition for inducing anti-stress, anti-anxiety and/or anti-depressant activities comprising a sulfamate derivative compound and/or a pharmaceutically acceptable salt thereof as an active ingredient.