3-(i-propylsulfonyl)-2-oxopropanoate | 1219494-83-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3-(i-propylsulfonyl)-2-oxopropanoate
• 英文别名: Methyl 3-(i-propylsulfonyl)-2-oxopropanoate；methyl 2-oxo-3-propan-2-ylsulfonylpropanoate
• CAS: 1219494-83-3
• 化学式: C₇H₁₂O₅S
• 分子量: 208.235
• InChiKey: QDOKDRGUGTXHDD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  13
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  85.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(噻吩-3-基)苯胺 、 3-(i-propylsulfonyl)-2-oxopropanoate 、 邻甲氧基苯甲醛 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 以79%的产率得到4-(i-propylsulfonyl)-3-hydroxy-1-(4-thiophene-3-ylphenyl)-5-(2-methoxyphenyl)-1,5-dihydropyrrole-2-one
  参考文献：
  名称：

  EP2336109

  摘要：

  公开号：
• 作为产物：
  描述：

  草酸二甲酯 、 异丙基甲基砜 在 sodium methylate 作用下， 以 甲醇 为溶剂， 以28%的产率得到3-(i-propylsulfonyl)-2-oxopropanoate
  参考文献：
  名称：

  EP2336109

  摘要：

  公开号：

文献信息

• NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Kai Hiroyuki

  公开号：US20110183939A1

  公开（公告）日：2011-07-28

  The present invention provides a novel P2X 3 and/or P2X 2 / 3 receptor antagonist. A compound represented by the formula (I); wherein Z 1 is optionally protected hydroxy, etc.; Z 2 is —C(═O)—, etc.; Z 3a and Z 3b are taken together ═O or ═S; t is an integer of 0 to 4; R 4a and R 4b are each independently, hydrogen or substituted or unsubstituted lower alkyl, etc.; m and n are each independently an integer of 0 to 2; k is an integer of 0 or 1; Ring A is an aromatic carbocyclic ring or a heterocyclic ring, etc.; B is aromatic carbocyclic ring-diyl or heterocyclic ring-diyl, etc.; R 1a and R 1b are each independently halogen, hydroxy, substituted or unsubstituted lower alkyl, etc.; R 2 is substituted or unsubstituted alkyl, etc.; R 3 is substituted or unsubstituted alkyl, substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group, etc.; or its pharmaceutically acceptable salt, or a solvate thereof is provided.

  本发明提供了一种新型的P2X3和/或P2X2/3受体拮抗剂。化合物由公式（I）表示；其中，Z1是可选的保护羟基等；Z2是-C（═O）-等；Z3a和Z3b一起取═O或═S；t为0至4的整数；R4a和R4b各自独立地为氢或取代或未取代的低碳基等；m和n各自独立地为0至2的整数；k为0或1的整数；环A是芳香环烃环或杂环环，等；B是芳香环烃环二基或杂环环二基等；R1a和R1b各自独立地为卤素、羟基、取代或未取代的低碳基等；R2为取代或未取代的烷基等；R3为取代或未取代的烷基、取代或未取代的芳基或取代或未取代的杂环基等；或其药学上可接受的盐或其溶剂。
• Pyrolinone derivative and pharmaceutical composition comprising the same
  申请人：Kai Hiroyuki

  公开号：US08575197B2

  公开（公告）日：2013-11-05

  The present invention provides a novel P2X3 and/or P2X2/3 receptor antagonist. A compound represented by the formula (I): wherein Z1 is optionally protected hydroxy, etc.; Z2 is —C(═O)—, etc.; Z3a and Z3b are taken together ═O or ═S; t is an integer of 0 to 4; R4a and R4b are each independently, hydrogen or substituted or unsubstituted lower alkyl, etc.; m and n are each independently an integer of 0 to 2; k is an integer of 0 or 1; Ring A is an aromatic carbocyclic ring or a heterocyclic ring, etc.; B is aromatic carbocyclic ring-diyl or heterocyclic ring-diyl, etc.; R1a and R1b are each independently halogen, hydroxy, substituted or unsubstituted lower alkyl, etc.; R2 is substituted or unsubstituted alkyl, etc.; R3 is substituted or unsubstituted alkyl, substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group, etc.; or its pharmaceutically acceptable salt, or a solvate thereof is provided.

  本发明提供了一种新型的P2X3和/或P2X2/3受体拮抗剂。化合物的结构式如下（I）：其中Z1是可选择的保护羟基等；Z2是—C（═O）—等；Z3a和Z3b一起取═O或═S；t是0到4的整数；R4a和R4b各自独立地是氢或取代或未取代的低碳基等；m和n各自独立地是0到2的整数；k是0或1的整数；环A是芳香碳环或杂环等；B是芳香碳环二基或杂环二基等；R1a和R1b各自独立地是卤素、羟基、取代或未取代的低碳基等；R2是取代或未取代的烷基等；R3是取代或未取代的烷基、取代或未取代的芳基或取代或未取代的杂环基等；或其药学上可接受的盐或其溶剂。
• NOVEL PYRROLINONE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING SAME
  申请人：Shionogi&Co., Ltd.

  公开号：EP2336109A1

  公开（公告）日：2011-06-22

  The present invention provides a novel P2X3 and/or P2X2/3 receptor antago nist. A compound represented by the formula (I): wherein Z1 is optionally protected hydroxy, etc.; Z2 is -C(=O)-, etc.; Z3a and Z3b are taken together =O or =S; t is an integer of 0 to 4; R4a and R4b are each independently, hydrogen or substituted or unsubstituted lower alkyl, etc.; m and n are each independently an integer of 0 to 2; k is an integer of 0 or 1; Ring A is an aromatic carbocyclic ring or a heterocyclic ring, etc.; B is aromatic carbocyclic ring-diyl or heterocyclic ring-diyl, etc.; R1a and R1b are each independently halogen, hydroxy, substituted or unsubstituted lower alkyl, etc.; R2 is substituted or unsubstituted alkyl, etc. R3 is substituted or unsubstituted alkyl, substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group, etc.; or its pharmaceutically acceptable salt, or a solvate thereof is provided.

  本发明提供了一种新型 P2X3 和/或 P2X2/3 受体拮抗剂。 由式（I）代表的化合物： 其中 Z1 是任选保护的羟基等；Z2 是-C(＝O)-等；Z3a 和 Z3b 合在一起是＝O 或＝S；t 是 0 至 4 的整数；R4a 和 R4b 各自独立地是氢、取代或未取代的低级烷基等。R1a和R1b各自独立地为卤素、羟基、取代或未取代的低级烷基等；R2为取代或未取代的烷基等；R3为取代或未取代的低级烷基等；R4a和R4b各自独立地为氢、取代或未取代的低级烷基等；R5为取代或未取代的低级烷基等；R6为取代或未取代的低级烷基等；R7为取代或未取代的低级烷基等；R8为取代或未取代的低级烷基等；R9为取代或未取代的低级烷基等；R10为取代或未取代的低级烷基等。R3 是取代或未取代的烷基、取代或未取代的芳基或取代或未取代的杂环基团等；或其药学上可接受的盐或其溶液。
• US8575197B2
  申请人：——

  公开号：US8575197B2

  公开（公告）日：2013-11-05
• EP2336109
  申请人：——

  公开号：——

  公开（公告）日：——