2-(4-(1H-1,2,4-triazol-1-yl)benzyl)-5-methyl-7-neopentyl-3-(phenylthio)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione | 1228656-67-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(1H-1,2,4-triazol-1-yl)benzyl)-5-methyl-7-neopentyl-3-(phenylthio)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
• 英文别名: 7-(2,2-dimethylpropyl)-5-methyl-3-phenylsulfanyl-2-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine-4,6-dione
• CAS: 1228656-67-4
• 化学式: C₂₆H₂₇N₇O₂S
• 分子量: 501.612
• InChiKey: SMMQNTXBQRSRAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  114
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  1-ó4-(溴甲基)苯-1H-1,2,4-三唑 、 5-methyl-7-neopentyl-3-(phenylthio)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(4-(1H-1,2,4-triazol-1-yl)benzyl)-5-methyl-7-neopentyl-3-(phenylthio)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
  参考文献：
  名称：

  [EN] ORGANIC COMPOUNDS
  [FR] COMPOSÉS ORGANIQUES

  摘要：

  化合物I或II的配方，其生产过程，它们作为药物的用途以及包含它们的药物组成物。

  公开号：

  WO2010065152A1

文献信息

• ORGANIC COMPOUNDS
  申请人：Li Peng

  公开号：US20110281832A1

  公开（公告）日：2011-11-17

  Optionally substituted (5- or 7-amino)-3,4-dihydro-(optionally 4-oxo, 4-thioxo or 4-imino)-1H-pyrrolo[3,4-d]pyrimidin-2(6H)-ones, Compounds of Formula I, processes for their production, their use as pharmaceuticals and pharmaceutical compositions comprising them.

  可选择替代的(5-或7-氨基)-3,4-二氢-(可选择4-氧基、4-硫基或4-亚胺基)-1H-吡咯[3,4-d]嘧啶-2(6H)-酮，式I的化合物，其制备方法，其作为制药用途及包含它们的制药组合物。
• Pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione derivatives useful as inhibitors of phosphodiesterase 1
  申请人：Li Peng

  公开号：US08859564B2

  公开（公告）日：2014-10-14

  Optionally substituted (5- or 7-amino)-3,4-dihydro-(optionally 4-oxo, 4-thioxo or 4-imino)-1H-pyrrolo[3,4-d]pyrimidin-2(6H)-ones, Compounds of Formula I, processes for their production, their use as pharmaceuticals and pharmaceutical compositions comprising them.

  可选地替代的(5-或7-氨基)-3,4-二氢-(可选地为4-氧、4-硫或4-亚胺基)-1H-吡咯并[3,4-d]嘧啶-2(6H)-酮，式I化合物，其制备方法，它们作为药物的用途以及包含它们的制药组合物。
• Organic Compounds
  申请人：LI Peng

  公开号：US20150119370A1

  公开（公告）日：2015-04-30

  Compounds of Formula (I) or (II), processes for their production, their use as pharmaceuticals and pharmaceutical compositions comprising them.

  公式（I）或（II）的化合物，其生产过程，它们作为药物的用途以及包含它们的药物组合物。
• Combinations of PDE1 inhibitors and NEP inhibitors and associated methods
  申请人：Intra-Cellular Therapies, Inc.

  公开号：US10285992B2

  公开（公告）日：2019-05-14

  The invention relates to the combination of inhibitors of phosphodiesterase 1 (PDE1) and inhibitors of Neprilysin (NEP) useful for the treatment of certain cardiovascular diseases or related disorders, e.g., hypertension, congestive heart disease, and post-myocardial infarction. In another embodiment, the invention relates to the combination of inhibitors of PDE1 and inhibitors of NEP for the treatment of diseases or disorders characterized by disruption of or damage to various cGMP/PKG mediated pathways in the cardiovascular system (e.g., in cardiac tissue or in arterial smooth muscle).

  本发明涉及磷酸二酯酶1（PDE1）抑制剂和NEPrilysin（NEP）抑制剂的组合，用于治疗某些心血管疾病或相关疾病，如高血压、充血性心脏病和心肌梗塞后。在另一个实施方案中，本发明涉及 PDE1 抑制剂和 NEP 抑制剂的组合，用于治疗以心血管系统（如心脏组织或动脉平滑肌）中各种 cGMP/PKG 介导的通路被破坏或损害为特征的疾病或紊乱。
• NOVEL COMBINATION
  申请人：Intra-Cellular Therapies, Inc.

  公开号：US20160038494A1

  公开（公告）日：2016-02-11

  The invention relates to the combination of inhibitors of phosphodiesterase 1 (PDE1) and inhibitors of Neprilysin (NEP) useful for the treatment of certain cardiovascular diseases or related disorders, e.g., hypertension, congestive heart disease, and post-myocardial infarction. In another embodiment, the invention relates to the combination of inhibitors of PDE1 and inhibitors of NEP for the treatment of diseases or disorders characterized by disruption of or damage to various cGMP/PKG mediated pathways in the cardiovascular system (e.g., in cardiac tissue or in arterial smooth muscle).