N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]-N-methylmethanesulfonamide | 553670-16-9

• 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: N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]-N-methylmethanesulfonamide
• 英文别名: N-[4-(3-cyclohexyl-1-methyl-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]-N-methylmethanesulfonamide
• CAS: 553670-16-9
• 化学式: C₂₁H₂₇N₅O₄S
• 分子量: 445.542
• InChiKey: MTDVEVYHAUMTNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-cyclohexyl-6-[2-methoxy-4-(methylamino)phenyl]-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one 、 甲基磺酰氯 在 吡啶 作用下， 反应 20.0h， 以87%的产率得到N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]-N-methylmethanesulfonamide
  参考文献：
  名称：

  PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY

  摘要：

  公开号：

  EP1454897B1

文献信息

• Pyrazolopyrimidinone derivatives having PDE7 inhibiting action
  申请人：Inoue Hidekazu

  公开号：US20050148604A1

  公开（公告）日：2005-07-07

  Pyrazolopyrimidinone derivatives expressed by the following general formula (IA) or (IB): and the following general formula (IA′) or (IB′): where the symbols are as disclosed in the specification, are provided as desired compounds. These compounds have the action of selectively inhibiting PDE7, thereby increasing the intracellular cAMP level and inhibiting the activation of T cells. Thus, they are useful for prevention and treatment of various allergic diseases and inflammatory or immunological diseases.

  本发明提供了以下通式(IA)或(IB)所表达的吡唑并嘧啶酮衍生物，以及以下通式(IA′)或(IB′)所表达的吡唑并嘧啶酮衍生物：其中所述符号如本说明书所披露的那样，作为所需的化合物提供。这些化合物具有选择性地抑制PDE7的作用，从而增加细胞内cAMP水平并抑制T细胞的活化。因此，它们对于预防和治疗各种过敏性疾病和炎症或免疫性疾病是有用的。
• 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action
  申请人：Ausbio Pharma Co., Ltd.

  公开号：US07268128B2

  公开（公告）日：2007-09-11

  Pyrazolopyrimidinone derivatives expressed by the following general formula (IA) or (IB): where the symbols are as disclosed in the specification, are provided as desired compounds. These compounds selectively inhibiting PDE7, thereby increasing the intracellular cAMP level and inhibiting the activation of T cells. Thus, these compounds are useful for prevention and treatment of various allergic diseases and inflammatory or immunological diseases.

  以下一般式（IA）或（IB）所表示的吡唑并嘧啶酮衍生物： 其中符号如说明书所述，作为所需的化合物提供。这些化合物选择性地抑制PDE7，从而增加细胞内cAMP水平并抑制T细胞的活化。因此，这些化合物对于预防和治疗各种过敏性疾病和炎症或免疫性疾病非常有用。
• PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY
  申请人：Daiichi Suntory Pharma Co., Ltd.

  公开号：EP1454897A1

  公开（公告）日：2004-09-08

  Pyrazolopyrimidinone derivatives expressed by the following general formula (IA) or (IB): and the following general formula (IA') or (IB'): where the symbols are as disclosed in the specification, are provided as desired compounds. These compounds have the action of selectively inhibiting PDE7, thereby increasing the intracellular cAMP level and inhibiting the activation of T cells. Thus, they are useful for prevention and treatment of various allergic diseases and inflammatory or immunological diseases.

  由以下通式（IA）或（IB）表示的吡唑嘧啶酮衍生物： 和以下通式（IA'）或（IB'）表示的吡唑嘧啶酮衍生物： 其中的符号如说明书中所披露的，作为所需的化合物提供。 这些化合物具有选择性抑制 PDE7 的作用，从而提高细胞内 cAMP 水平并抑制 T 细胞的活化。因此，它们可用于预防和治疗各种过敏性疾病和炎症性或免疫性疾病。
• US7268128B2
  申请人：——

  公开号：US7268128B2

  公开（公告）日：2007-09-11