4-ethyl-4-methylcyclohexane-1,3-dione | 864226-06-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-ethyl-4-methylcyclohexane-1,3-dione
• CAS: 864226-06-2
• 化学式: C₉H₁₄O₂
• 分子量: 154.209
• InChiKey: MXSHXOGOMPRYRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-ethyl-4-methylcyclohexane-1,3-dione 在 ammonium acetate 作用下， 以 5,5-dimethyl-1,3-cyclohexadiene 、 甲苯 为溶剂， 反应 37.0h， 生成 6-ethyl-6-methyl-7,8-dihydroquinoline-2,5(3H,6H)-dione
  参考文献：
  名称：

  3-βHSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF

  摘要：

  Disclosed herein are compounds that inhibit the function of 3β-hydroxysteroid dehydrogenase (3βHSD1), pharmaceutical compositions comprising the compounds, and methods of using the compounds, e.g., for the treatment of prostate cancer, breast cancer, and other diseases dependent on the activity of 3βHSD1.

  公开号：

  WO2023250480A1
• 作为产物：
  描述：

  丙烯酸甲酯（MA） 、 3-甲基-2-戊酮 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 以37.66 %的产率得到4-ethyl-4-methylcyclohexane-1,3-dione
  参考文献：
  名称：

  3-βHSD1 INHIBITORS AND COMPOSITIONS AND USES THEREOF

  摘要：

  Disclosed herein are compounds that inhibit the function of 3β-hydroxysteroid dehydrogenase (3βHSD1), pharmaceutical compositions comprising the compounds, and methods of using the compounds, e.g., for the treatment of prostate cancer, breast cancer, and other diseases dependent on the activity of 3βHSD1.

  公开号：

  WO2023250480A1

文献信息

• Tetrahydroquinolinones and their use as antagonists of metabotropic glutamate receptors
  申请人：Jirgensons Aigars

  公开号：US20050197361A1

  公开（公告）日：2005-09-08

  The invention relates to tetrahydroquinolinone derivatives as well as their pharmaceutially acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR antagonists and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  该发明涉及四氢喹诺酮衍生物及其药用可接受的盐。该发明还涉及一种制备这种化合物的方法。该发明的化合物是I组mGluR拮抗剂，因此对于控制和预防急性和/或慢性神经系统疾病非常有用。
• Tetrahydroquinolones and their use as modulators of metabotropic glutamate receptors
  申请人：Jirgensons Aigars

  公开号：US20050288284A1

  公开（公告）日：2005-12-29

  The invention relates to ethynyl-substituted tetrahydroquinolinone derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  该发明涉及乙炔基取代的四氢喹啉酮衍生物及其药学上可接受的盐。该发明进一步涉及一种制备这种化合物的方法。该发明的化合物是I组mGluR调节剂，因此对于控制和预防急性和/或慢性神经系统疾病有用。
• Tetrahydroquinolinones and their use as modulators of metabotropic glutamate receptors
  申请人：Kauss Valerjans

  公开号：US20090227582A1

  公开（公告）日：2009-09-10

  The invention relates to ethynyl-substituted tetrahydroquinolinone derivatives as well as their pharmaceutically acceptable salts. The invention further relates to a process for the preparation of such compounds. The compounds of the invention are group I mGluR modulators and are therefore useful for the control and prevention of acute and/or chronic neurological disorders.

  本发明涉及乙炔基取代的四氢喹啉酮衍生物以及其药学上可接受的盐。本发明还涉及一种制备这种化合物的方法。本发明的化合物是I组mGluR调节剂，因此对于控制和预防急性和/或慢性神经系统疾病是有用的。
• WO2007/23245
  申请人：——

  公开号：——

  公开（公告）日：——
• TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS
  申请人：Merz Pharma GmbH & Co. KGaA

  公开号：EP1723116A2

  公开（公告）日：2006-11-22