1-(1-(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-indazol-5-yl)-3-phenylpropan-1-one | 917983-89-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(1-(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-indazol-5-yl)-3-phenylpropan-1-one
• 英文别名: 1-(1-(4-Fluorophenyl)-5-methyl-4,5-dihydro-1h-indazol-5-yl)-3-phenylpropan-1-one；1-[1-(4-fluorophenyl)-5-methyl-4H-indazol-5-yl]-3-phenylpropan-1-one
• CAS: 917983-89-2
• 化学式: C₂₃H₂₁FN₂O
• 分子量: 360.431
• InChiKey: TYPXYAOOMAIHAP-UHFFFAOYSA-N

物化性质

• 沸点：
  497.2±45.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(1-(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-indazol-5-yl)-3-phenylpropan-1-one 、 甲基溴化镁 在 氯化铵 、 乙酸乙酯 、 silica gel 、 EtOAc-hexanes 作用下， 以 四氢呋喃 为溶剂， 反应 2.5h， 以to give the title compound (25.7 mg, 82%)的产率得到2-(1-(4-fluorophenyl)-5-methyl-4,5-dihydro-1H-indazol-5-yl)-4-phenylbutan-2-ol
  参考文献：
  名称：

  Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof

  摘要：

  提供了非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖症、糖尿病、炎症和免疫性疾病，其结构为式（I）或其对映异构体、顺异构体、药学上可接受的盐或其水合物，其中J从NR1或C（R4）（R4a）中选择；K从NR2或C（R5）（R5a）中选择；L从NR3或C（R6）（R6a）中选择；A、X、Y、R1、R2、R3、R4、R4a、R5、R5a、R6、R6a、R8、R10、R11和n在此定义。还提供了制药组合物和治疗肥胖症、糖尿病和炎症或免疫相关疾病的方法，包括所述化合物。

  公开号：

  US20070129400A1

文献信息

• Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity, and use thereof
  申请人：Bristol-Myers Squibb Company

  公开号：US07888381B2

  公开（公告）日：2011-02-15

  Non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases, and have the structure of formula (I) or an enantiomer, a diastereomer, a pharmaceutically acceptable salt, or hydrate thereof, where J is selected from NR1 or C(R4)(R4a); K is selected from NR2 or C(R5)(R5a); L is selected from NR3 or C(R6)(R6a); and A, X, Y, R1, R2, R3, R4, R4a, R5, R5a, R6, R6a, R8, R10, R11, and n are defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  提供非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖症、糖尿病、炎症和免疫疾病，其结构为公式（I）或其对映异构体、顺反异构体、药学上可接受的盐或水合物，其中J选自NR1或C（R4）（R4a）; K选自NR2或C（R5）（R5a）; L选自NR3或C（R6）（R6a）; A、X、Y、R1、R2、R3、R4、R4a、R5、R5a、R6、R6a、R8、R10、R11和n的定义如本文所述。还提供了制药组合物和治疗肥胖症、糖尿病和炎症或免疫相关疾病的方法，包括上述化合物。
• WO2006/138373
  申请人：——

  公开号：——

  公开（公告）日：——
• MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
  申请人：Bristol-Myers Squibb Company

  公开号：EP1896424B1

  公开（公告）日：2011-09-21
• US7888381B2
  申请人：——

  公开号：US7888381B2

  公开（公告）日：2011-02-15
• Modulators of glucocorticoid receptor, AP-1, and/or NF-kB activity, and use thereof
  申请人：Duan Jingwu

  公开号：US20070129400A1

  公开（公告）日：2007-06-07

  Non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity including obesity, diabetes, inflammatory and immune diseases, and have the structure of formula (I) or an enantiomer, a diastereomer, a pharmaceutically acceptable salt, or hydrate thereof, where J is selected from NR 1 or C(R 4 )(R 4a ); K is selected from NR 2 or C(R 5 )(R 5a ); L is selected from NR 3 or C(R 6 )(R 6a ); and A, X, Y, R 1 , R 2 , R 3 , R 4 , R 4a , R 5 , R 5a , R 6 , R 6a , R 8 , R 10 , R 11 , and n are defined herein. Also provided are pharmaceutical compositions and methods of treating obesity, diabetes and inflammatory or immune associated diseases comprising said compounds.

  提供了非甾体化合物，可用于治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病，包括肥胖症、糖尿病、炎症和免疫性疾病，其结构为式（I）或其对映异构体、顺异构体、药学上可接受的盐或其水合物，其中J从NR1或C（R4）（R4a）中选择；K从NR2或C（R5）（R5a）中选择；L从NR3或C（R6）（R6a）中选择；A、X、Y、R1、R2、R3、R4、R4a、R5、R5a、R6、R6a、R8、R10、R11和n在此定义。还提供了制药组合物和治疗肥胖症、糖尿病和炎症或免疫相关疾病的方法，包括所述化合物。