[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate
• 化学式: C₂₁H₂₈N₅O₆P
• 分子量: 477.5
• InChiKey: QWKYJVGZUIZRNO-FJNJALAMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  33
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  141
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate 在 磷酸 、 氨 作用下， 以 二氯甲烷 、 水 、 异丙醇 为溶剂， 反应 3.75h， 生成
  参考文献：
  名称：

  [EN] AN IMPROVED PROCESS FOR PREPARING ANTIVIRAL PHOSPHONATE ANALOGUES
  [FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION D'ANALOGUES DE PHOSPHONATE ANTIVIRAUX

  摘要：

  The present invention relates to an improved process for the preparation of (((1-(6-amino-9H- purin-9-yl)propan-2-yloxy)methyl)(phenoxy)phosphoryloxy)methyl pivalate Compound (1) or its pharmaceutically acceptable salts thereof. The compound is useful as nucleotide reverse transcriptase inhibitor in therapy for diseases which respond to inhibition of protein kinase activity in humans in need thereof.

  公开号：

  WO2024033632A1
• 作为产物：
  描述：

  亚磷酸三苯酯 在 4-二甲氨基吡啶 、 四丁基溴化铵 、 三乙胺 、 N,N-二异丙基乙胺 、 碳酸二甲酯 作用下， 以 甲苯 、 乙腈 为溶剂， 反应 45.0h， 生成 [[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]oxymethyl 2,2-dimethylpropanoate
  参考文献：
  名称：

  [EN] AN IMPROVED PROCESS FOR PREPARING ANTIVIRAL PHOSPHONATE ANALOGUES
  [FR] PROCÉDÉ AMÉLIORÉ DE PRÉPARATION D'ANALOGUES DE PHOSPHONATE ANTIVIRAUX

  摘要：

  The present invention relates to an improved process for the preparation of (((1-(6-amino-9H- purin-9-yl)propan-2-yloxy)methyl)(phenoxy)phosphoryloxy)methyl pivalate Compound (1) or its pharmaceutically acceptable salts thereof. The compound is useful as nucleotide reverse transcriptase inhibitor in therapy for diseases which respond to inhibition of protein kinase activity in humans in need thereof.

  公开号：

  WO2024033632A1

文献信息

• [EN] ANTIVIRAL PHOSPHONATE ANALOGUES AND PROCESS FOR PREPARATION THEREOF<br/>[FR] ANALOGUES DE PHOSPHONATE ANTIVIRAUX ET LEUR PROCÉDÉ DE PRÉPARATION
  申请人：CIPLA LTD

  公开号：WO2014068265A1

  公开（公告）日：2014-05-08

  The present invention provides a compound of the Formula (I) wherein R is 9-isopropyl-9H-purin-6-amine; 2-amino-9-isopropyl-lH-purin-6(9H)-one; 4-amino- 1-isopropyl pyrimidin-2(lH)-one; or l-isopropyl-5-methyIpyrimidine-2,4(lH,3H)-dione, R' is - CH2OC(0)R", and R" is -C(CH3)3 or -CH(CH3)2 including pharmaceutically acceptable salts thereof. The present invention also provides a process for preparing a compound of formula (la) and a compound of formula (I) for use in treating a viral infection.

  本发明提供了一种化合物，其化学式为(I)，其中R为9-异丙基-9H-嘌呤-6-胺；2-氨基-9-异丙基-1H-嘌呤-6(9H)-酮；4-氨基-1-异丙基嘧啶-2(1H)-酮；或1-异丙基-5-甲基嘧啶-2,4(1H,3H)-二酮，R'为-CH2OC(0)R"，R"为-C(CH3)3或-CH(CH3)2，包括其药用可接受的盐。本发明还提供了一种制备化学式(la)的化合物和化学式(I)的化合物的方法，用于治疗病毒感染。
• Antiviral Phosphonate Analogues and Process for Preparation Thereof
  申请人：Cipla Limited

  公开号：US20150291639A1

  公开（公告）日：2015-10-15

  The present invention provides a compound of the Formula (I) wherein R is 9-isopropyl-9H-purin-6-amine; 2-amino-9-isopropyl-1H-purin-6(9H)-one; 4-amino-1-isopropyl pyrimidin-2(1H)-one; or 1-isopropyl-5-methylpyrimidine-2,4(1H,3H)-dione, R′ is —CH 2 OC(O)R″, and R″ is —C(CH 3 ) 3 or —CH(CH 3 ) 2 including pharmaceutically acceptable salts thereof. The present invention also provides a process for preparing a compound of formula (Ia) and a compound of formula (I) for use in treating a viral infection.

  本发明提供了一种式（I）的化合物，其中R为9-异丙基-9H-嘌呤-6-胺；2-氨基-9-异丙基-1H-嘌呤-6（9H）-酮；4-氨基-1-异丙基嘧啶-2（1H）-酮；或1-异丙基-5-甲基嘧啶-2,4（1H,3H）-二酮，R′为—CH2OC（O）R″，R″为—C（CH3）3或—CH（CH3）2，包括其药学上可接受的盐。本发明还提供了制备式（Ia）和式（I）化合物的方法，用于治疗病毒感染。
• ANTIVIRAL PHOSPHONATE ANALOGUES AND PROCESS FOR PREPARATION THEREOF
  申请人：Cipla Limited

  公开号：EP2912047A1

  公开（公告）日：2015-09-02
• PHARMACEUTICAL COMPOSITIONS
  申请人：Cipla Limited

  公开号：EP3641733A1

  公开（公告）日：2020-04-29
• Pharmaceutical Compositions
  申请人：CIPLA LIMITED

  公开号：US20200113919A1

  公开（公告）日：2020-04-16

  The invention relates to pharmaceutical compositions comprising ((((((R)-1-(6-amino-9H-purin-9-yl) propan-2-yl)oxy)methyl)(phenoxy)phosphoryl)oxy)methyl pivalate or a pharmaceutically acceptable derivative thereof, optionally with an additional agent, methods of making them, and their use in medicine.