methyl 4-phenylthioacetoacetate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: methyl 4-phenylthioacetoacetate
• 英文别名: S-methyl 3-oxo-4-phenylbutanethioate
• 化学式: C₁₁H₁₂O₂S
• 分子量: 208.281
• InChiKey: VCRYZVHOUXPCQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  59.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯乙酰乙酸甲酯 、 苯硫酚 以 N-甲基乙酰胺 为溶剂， 生成 methyl 4-phenylthioacetoacetate
  参考文献：
  名称：

  Dihydropyridine derivatives as bradykinin antagonist

  摘要：

  化合物的公式（1）及其药用盐在规范中定义为A1，A2，R1，R2，R3，R4，X，具有出色的激肽酶抑制活性。

  公开号：

  US05859011A1

文献信息

• 1,4-dihydropyridine compounds as bradykinin antagonists
  申请人：Pfizer Inc.

  公开号：US06131226A1

  公开（公告）日：2000-10-17

  A compound of formula (I) and its pharmaceutically acceptable salts, wherein A.sup.1 and A.sup.2 are each halo; X is direct bond, CH.sub.2, CO, O, S, S(O) or S(O).sub.2 ; R.sup.1 is selected from a variety of groups such as hydrogen; substituted or unsubstituted C.sub.1-4 alkyl; substituted or unsubstituted piperidinyl; substituted or unsubstituted C.sub.5-14 cycloalkyl, bicycloalkyl or tricycloalkyl; substituted or unsubstituted C.sub.7-14 azacyclo-, azabicyclo- or azatricyclo-alkyl; bicyclo C.sub.7-10 alkenyl; benzocyclo C.sub.5-7 alkyl; and heterocyclic; R.sup.2 is hydrogen, C.sub.1-4 alkyl, substituted or unsubstituted phenyl or heterocyclic; and R.sup.3 and R.sup.4 are each C.sub.1-5 alkyl. The novel dihydropyridine compounds of this invention have excellent bradykinin antagonistic activity and are thus useful for the treatment of inflammation, cardiovascular disease, pain, common cold, allergies, asthma, pancreatitis, burns, virus infection, head injury, multiple trauma or the like in mammalian, especially humans. ##STR1##

  该公式(I)的化合物及其药学上可接受的盐，其中A.sup.1和A.sup.2分别为卤素；X为直链键，CH.sub.2，CO，O，S，S(O)或S(O).sub.2；R.sup.1选自各种基团，如氢；取代或未取代的C.sub.1-4烷基；取代或未取代的哌啶基；取代或未取代的C.sub.5-14环烷基，双环烷基或三环烷基；取代或未取代的C.sub.7-14氮杂环烷基，氮杂双环烷基或氮杂三环烷基；双环C.sub.7-10烯基；苯并环C.sub.5-7烷基；和杂环基；R.sup.2为氢，C.sub.1-4烷基，取代或未取代的苯基或杂环基；R.sup.3和R.sup.4分别为C.sub.1-5烷基。本发明的新型二氢吡啶化合物具有优异的激肽酶抑制活性，因此可用于治疗哺乳动物，尤其是人类的炎症、心血管疾病、疼痛、感冒、过敏、哮喘、胰腺炎、烧伤、病毒感染、头部损伤、多发伤等。
• Optically active 1,4-dihydropyridine compounds as bradykinin antagonists
  申请人：Pfizer Inc

  公开号：US06156752A1

  公开（公告）日：2000-12-05

  This invention provides a compound of the formula (I): ##STR1## and its pharmaceutically acceptable salts, wherein A.sup.1 and A.sup.2 are each halo; R.sup.1 and R.sup.2 are independently C.sub.1-4 alkyl; R.sup.3 is substituted or unsubstituted, phenyl or naphthyl; Y is heterocyclic group selected from C.sub.5-10 azacycloalkyl, C.sub.6-10 diazacycloalkyl, C.sub.7-10 azabicycloalkyl and the like; and R.sup.4 is selected from (a) substituted or unsubstituted C.sub.1-8 alkyll; (b) substituted or unsubstituted amino; (c) substituted or unsubstituted C.sub.2-6 alkanoyl; (d) substituted or unsubstituted C.sub.3-8 cycloalkyl or C.sub.7-14 bicycloalkyl; (e) substituted or unsubstituted C.sub.5-10 azacycloalkyl or C.sub.6-10 diazacycloalkyl, and (f) substituted or unsubstituted C.sub.7-14 mono- or di-azabicycloalkyl. These compounds are useful for the treatment of medical conditions caused by bradykinin such as inflammation, cardiovascular disease, pain, etc. This invention also provides a pharmaceutical composition comprising the above compound, and intermediates of the above compounds.

  该发明提供了化合物(I)的公式：##STR1##及其药学上可接受的盐，其中A.sup.1和A.sup.2均为卤素；R.sup.1和R.sup.2独立地为C.sub.1-4烷基；R.sup.3为取代或未取代的苯基或萘基；Y为从C.sub.5-10氮杂环烷基，C.sub.6-10二氮杂环烷基，C.sub.7-10氮杂双环烷基等中选择的杂环基团；R.sup.4选自(a)取代或未取代的C.sub.1-8烷基；(b)取代或未取代的氨基；(c)取代或未取代的C.sub.2-6烷酰基；(d)取代或未取代的C.sub.3-8环烷基或C.sub.7-14双环烷基；(e)取代或未取代的C.sub.5-10氮杂环烷基或C.sub.6-10二氮杂环烷基，以及(f)取代或未取代的C.sub.7-14单氮杂双环烷基或双氮杂双环烷基。这些化合物可用于治疗由激肽酶引起的医疗状况，如炎症、心血管疾病、疼痛等。该发明还提供了包含上述化合物的药物组合物，以及上述化合物的中间体。
• Optical active 1,4-dihydropyridine compounds as bradykinin antagonists
  申请人：PFIZER INC.

  公开号：EP0899261A1

  公开（公告）日：1999-03-03

  This invention provides a compound of the formula (I): and its pharmaceutically acceptable salts, wherein A1 and A2 are each halo; R1 and R2 are independently C1-4 alkyl; R3 is substituted or unsubstituted, phenyl or naphthyl; Y is heterocyclic group selected from C5-10 azacycloalkyl, C6-10 diazacycloalkyl, C7-10 azabicycloalkyl and the like; and R4 is selected from (a) substituted or unsubstituted C1-8 alkyll; (b) substituted or unsubstituted amino; (c) substituted or unsubstituted C2-6 alkanoyl; (d) substituted or unsubstituted C3-8 cycloalkyl or C7-14 bicycloalkyl; (e) substituted or unsubstituted C5-10 azacycloalkyl or C6-10 diazacycloalkyl, and (f) substituted or unsubstituted C7-14 mono- or di-azabicycloalkyl. These compounds are useful for the treatment of medical conditions caused by bradykinin such as inflammation, cardiovascular disease, pain, etc. This invention also provides a pharmaceutical composition comprising the above compound, and intermediates of the above compounds.

  本发明提供了一种式（I）化合物： 及其药学上可接受的盐类，其中 A1 和 A2 各为卤代；R1 和 R2 独立地为 C1-4 烷基；R3 为取代或未取代的苯基或萘基；Y 为杂环基团，选自 C5-10 氮杂环烷基、C6-10 二氮杂环烷基、C7-10 氮杂双环烷基等；R4 选自 (a) 取代或未取代的 C1-8 烷基；(b) 取代或未取代的氨基； (c) 取代或未取代的 C2-6 烷酰基； (d) 取代或未取代的 C3-8 环烷基或 C7-14 双环烷基； (e) 取代或未取代的 C5-10 氮杂环烷基或 C6-10 二氮杂环烷基，以及 (f) 取代或未取代的 C7-14 单氮杂双环烷基或双氮杂双环烷基。这些化合物可用于治疗由缓激肽引起的病症，如炎症、心血管疾病、疼痛等。本发明还提供了一种药物组合物，其中包含上述化合物以及上述化合物的中间体。
• DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS
  申请人：PFIZER INC.

  公开号：EP0777653A1

  公开（公告）日：1997-06-11
• 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS
  申请人：PFIZER INC.

  公开号：EP0882044A1

  公开（公告）日：1998-12-09