2-{(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide | 872599-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-{(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide
• 英文别名: 2-[(2R,5R)-2-[(2S)-butan-2-yl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxopiperazin-1-yl]-2-(4,6-dimethylpyridin-3-yl)-N-(2-hydroxyphenyl)acetamide
• CAS: 872599-79-6
• 化学式: C₃₂H₃₆N₄O₄
• 分子量: 540.662
• InChiKey: CLBXPRUDHXKTHU-BFWDEDRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  40
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  112
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-{(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide 、 吗啉 生成 (2R)-2-{(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-methylethanamide
  参考文献：
  名称：

  Compounds

  摘要：

  化学式（I）的化合物，其中R1为2-吲哚基，R2为1-甲基丙基，R3为从2,6-二甲基-3-吡啶基或4,6-二甲基-3-吡啶基中选择的基团，R4代表甲基，R5代表氢或甲基，或者R4和R5与它们连接的氮原子一起代表吗啡啶基团及其药学上可接受的衍生物。描述了它们的制备方法，含有它们的药物组合物以及它们在医学上的用途，特别是作为催产素拮抗剂的用途。

  公开号：

  US08202864B2
• 作为产物：
  描述：

  2-{(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-{2-[(phenylmethyl)oxy]phenyl}acetamide 在 钯 二氯甲烷 、 乙酸乙酯 作用下， 以 乙醇 为溶剂， 反应 20.0h， 以to give 2-{(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide (2.43 g, 87%) as a pale yellow solid的产率得到2-{(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-(2-hydroxyphenyl)acetamide
  参考文献：
  名称：

  Compounds

  摘要：

  化学式（I）的化合物，其中R1为2-吲哚基，R2为1-甲基丙基，R3为从2,6-二甲基-3-吡啶基或4,6-二甲基-3-吡啶基中选择的基团，R4代表甲基，R5代表氢或甲基，或者R4和R5与它们连接的氮原子一起代表吗啡啶基团及其药学上可接受的衍生物。描述了它们的制备方法，含有它们的药物组合物以及它们在医学上的用途，特别是作为催产素拮抗剂的用途。

  公开号：

  US08202864B2

文献信息

• [EN] NOVEL COMPOUNDS<br/>[FR] PIPERAZINEDIONES UTILISES EN TANT QU'ANTAGONISTES DU RECEPTEUR DE L'OXYTOCINE
  申请人：GLAXO GROUP LTD

  公开号：WO2006000399A1

  公开（公告）日：2006-01-05

  Compounds of formula (I) wherein R1 is 2-indanyl, R2 is 1-methylpropyl, R3 is a group selected from 2, 6-dimethyl-3-pyridyl or 4,6-dimethyl-3-pyridyl, R4 represents methyl and R5 represents hydrogen or methyl or, R4 and R5 together with the nitrogen atom to which they are attached represent morpholino and pharmaceutically acceptable derivatives thereof are described, as are processes for their preparation, pharmaceutical compositions containing them and their use in medicine, particularly their use as oxytocin antagonists.

  化合物的公式(I)，其中R1是2-茚基，R2是1-甲基丙基，R3是从2,6-二甲基-3-吡啶基或4,6-二甲基-3-吡啶基中选择的基团，R4代表甲基，R5代表氢或甲基或者，R4和R5与它们连接的氮原子一起代表吗啡啉基团及其药用可接受的衍生物，描述了它们的制备过程，含有它们的药物组合物以及它们在医学中的用途，特别是作为催产素拮抗剂的用途。
• Novel compounds
  申请人：Borthwick Alan David

  公开号：US20090247541A1

  公开（公告）日：2009-10-01

  Compounds of formula (I) wherein R 1 is 2-indanyl, R 2 is 1-methylpropyl, R 3 is a group selected from 2,6-dimethyl-3-pyridyl or 4,6-dimethyl-3-pyridyl, R 4 represents methyl and R 5 represents hydrogen or methyl or, R 4 and R 5 together with the nitrogen atom to which they are attached represent morpholino and pharmaceutically acceptable derivatives thereof are described, as are processes for their preparation, pharmaceutical compositions containing them and their use in medicine, particularly their use as oxytocin antagonists.

  化合物的公式（I），其中R1为2-吲哚基，R2为1-甲基丙基，R3为从2,6-二甲基-3-吡啶基或4,6-二甲基-3-吡啶基中选择的基团，R4代表甲基，R5代表氢或甲基或R4和R5与它们连接的氮原子一起代表吗啡啡诺，以及其制备过程，含有它们的制药组合物和它们在医学上的用途，特别是它们作为催产素拮抗剂的用途。
• Piperazinediones as Oxytocin Receptor Antagonists
  申请人：Borthwick David Alan

  公开号：US20070254888A1

  公开（公告）日：2007-11-01

  Compounds of formula (I) wherein R 1 is 2-indanyl, R 2 is 1-methylpropyl, R 3 is a group selected from 2,6-dimethyl-3-pyridyl or 4,6-dimethyl-3-pyridyl, R 4 represents methyl and R 5 represents hydrogen or methyl or, R 4 and R 5 together with the nitrogen atom to which they are attached represent morpholino and pharmaceutically acceptable derivatives thereof are described, as are processes for their preparation, pharmaceutical compositions containing them and their use in medicine, particularly their use as oxytocin antagonists.

  化学式为（I）的化合物，其中R1为2-茚芳基，R2为1-甲基丙基，R3为从2,6-二甲基-3-吡啶基或4,6-二甲基-3-吡啶基中选择的基团，R4代表甲基，R5代表氢或甲基，或者R4和R5与它们所连接的氮原子一起代表吗啡啶基团，以及它们的药学上可接受的衍生物的制备方法、含有它们的制剂和它们在医学上的应用，特别是它们作为催产素拮抗剂的应用。
• Piperazinediones as oxytocin receptor antagonists
  申请人：Glaxo Group Limited

  公开号：US07550462B2

  公开（公告）日：2009-06-23

  Compounds of formula (I) wherein R1 is 2-indanyl, R2 is 1-methylpropyl, R3 is a group selected from 2,6-dimethyl-3-pyridyl or 4,6-dimethyl-3-pyridyl, R4 represents methyl and R5 represents hydrogen or methyl or, R4 and R5 together with the nitrogen atom to which they are attached represent morpholino and pharmaceutically acceptable derivatives thereof are described, as are processes for their preparation, pharmaceutical compositions containing them and their use in medicine, particularly their use as oxytocin antagonists.

  化学式为（I）的化合物，其中R1为2-茚芳基，R2为1-甲基丙基，R3为从2,6-二甲基-3-吡啶基或4,6-二甲基-3-吡啶基中选择的基团，R4代表甲基，R5代表氢或甲基，或者R4和R5与它们附着的氮原子一起代表吗啡环氧化物及其药学上可接受的衍生物。还描述了它们的制备方法，含有它们的药物组合物以及它们在医学上的用途，特别是它们作为催产素拮抗剂的用途。
• Compounds
  申请人：Glaxo Group Limited

  公开号：US07919492B2

  公开（公告）日：2011-04-05

  Compounds of formula (I) wherein R1 is 2-indanyl, R2 is 1-methylpropyl, R3 is a group selected from 2,6-dimethyl-3-pyridyl or 4,6-dimethyl-3-pyridyl, R4 represents methyl and R5 represents hydrogen or methyl or, R4 and R5 together with the nitrogen atom to which they are attached represent morpholino and pharmaceutically acceptable derivatives thereof are described, as are processes for their preparation, pharmaceutical compositions containing them and their use in medicine, particularly their use as oxytocin antagonists.

  该文描述了化学式(I)的化合物，其中R1为2-茚基，R2为1-甲基丙基，R3为选择自2,6-二甲基-3-吡啶基或4,6-二甲基-3-吡啶基的基团，R4代表甲基，R5代表氢或甲基或R4和R5与它们附着的氮原子一起代表吗啡啶基团，以及它们的制备方法，含有它们的制药组合物和在医学中的使用，特别是作为催产素拮抗剂。