7-isobutyl-5-methyl-4-(methylimino)-3-(phenylamino)-2-(4-(pyridin-2-yl)benzyl)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-one | 1228665-10-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 7-isobutyl-5-methyl-4-(methylimino)-3-(phenylamino)-2-(4-(pyridin-2-yl)benzyl)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-one
• 英文别名: 3-anilino-5-methyl-4-methylimino-7-(2-methylpropyl)-2-[(4-pyridin-2-ylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-one
• CAS: 1228665-10-8
• 化学式: C₂₉H₃₁N₇O
• 分子量: 493.611
• InChiKey: YPKZCSCGVJGPBB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-isobutyl-5-methyl-3-(phenylamino)-2-(4-(pyridin-2-yl)benzyl)-4-thioxo-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-one 、 甲胺 在 氯化汞(II) product 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 生成 7-isobutyl-5-methyl-4-(methylimino)-3-(phenylamino)-2-(4-(pyridin-2-yl)benzyl)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-one
  参考文献：
  名称：

  Optionally substituted 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo [3,4-d]pyrimidin-6(7H)-ones

  摘要：

  本发明涉及可选择取代的3-氨基-4,5-二氢-(1H或2H)-吡唑并[3,4-d]嘧啶-6(7H)-酮及其4-亚氨基或4-硫代氧衍生物，例如3-氨基-4-(硫代或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代或亚氨基)-4,5-二氢-1H-吡唑并[3,4-d]嘧啶-6(7H)-酮，以及它们的制备方法，它们作为药物的用途以及包含它们的药物组合物。

  公开号：

  US08697710B2

文献信息

• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：INTRA CELLULAR THERAPIES INC

  公开号：WO2010065153A1

  公开（公告）日：2010-06-10

  The present invention relates to optionally substituted 3-amino-4,5-dihydro-(1H or 2H)-pyrazolo[3,4-d]pyrimidin-6(7H)-ones and their 4-imino or 4-thioxo derivatives, e.g., 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)- ones, 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)- ones, 3-amino-4-(thioxo or imino)-4,5-dihydro-lH-pyrazolo[3,4-d]pyrimidin-6(7H)- ones, processes for their production, their use as pharmaceuticals and pharmaceutical compositions comprising them.

  本发明涉及可选取代的3-氨基-4,5-二氢-(1H或2H)-吡唑并[3,4-d]嘧啶-6(7H)-酮及其4-亚氨基或4-硫代氧衍生物，例如3-氨基-4-(硫代或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代或亚氨基)-4,5-二氢-1H-吡唑并[3,4-d]嘧啶-6(7H)-酮，以及制备它们的方法，它们作为药物的用途以及包括它们的药物组合物。
• Optionally substituted 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo [3,4-d]pyrimidin-6(7H)-ones
  申请人：Li Peng

  公开号：US08697710B2

  公开（公告）日：2014-04-15

  The present invention relates to optionally substituted 3-amino-4,5-dihydro-(1H or 2H)-pyrazolo[3,4-d]pyrimidin-6(7H)-ones and their 4-imino or 4-thioxo derivatives, e.g., 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-ones, 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-ones, 3-amino-4-(thioxo or imino)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6(7H)-ones, processes for their production, their use as pharmaceuticals and pharmaceutical compositions comprising them.

  本发明涉及可选择取代的3-氨基-4,5-二氢-(1H或2H)-吡唑并[3,4-d]嘧啶-6(7H)-酮及其4-亚氨基或4-硫代氧衍生物，例如3-氨基-4-(硫代或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代或亚氨基)-4,5-二氢-1H-吡唑并[3,4-d]嘧啶-6(7H)-酮，以及它们的制备方法，它们作为药物的用途以及包含它们的药物组合物。
• ORGANIC COMPOUNDS
  申请人：Li Peng

  公开号：US20120094966A1

  公开（公告）日：2012-04-19

  The present invention relates to optionally substituted 3-amino-4,5-dihydro-(1H or 2H)-pyrazolo[3,4-d]pyrimidin-6(7H)-ones and their 4-imino or 4-thioxo derivatives, e.g., 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-ones, 3-amino-4-(thioxo or imino)-4,5-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6(7H)-ones, 3-amino-4-(thioxo or imino)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6(7H)-ones, processes for their production, their use as pharmaceuticals and pharmaceutical compositions comprising them.

  本发明涉及可选取代的3-氨基-4,5-二氢-(1H或2H)-吡唑并[3,4-d]嘧啶-6(7H)-酮及其4-亚氨基或4-硫代氧衍生物，例如3-氨基-4-(硫代氧或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代氧或亚氨基)-4,5-二氢-2H-吡唑并[3,4-d]嘧啶-6(7H)-酮，3-氨基-4-(硫代氧或亚氨基)-4,5-二氢-1H-吡唑并[3,4-d]嘧啶-6(7H)-酮，其生产方法，它们作为药物的用途以及包含它们的药物组合物。