Ethyl tetrahydrothiopyran-3-one-4-carboxylate | 135369-32-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻烷
• 英文名称: Ethyl tetrahydrothiopyran-3-one-4-carboxylate
• 英文别名: ethyl 3-oxotetrahydro-2H-thiopyran-4-carboxylate；ethyl 3-oxo-3,4,5,6-tetrahydro-2H-thiopyrane-4-carboxylate；Ethyl 3-oxothiane-4-carboxylate
• CAS: 135369-32-3
• 化学式: C₈H₁₂O₃S
• 分子量: 188.247
• InChiKey: CUEMSJZZZBIOJN-UHFFFAOYSA-N

物化性质

• 沸点：
  281.8±40.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl tetrahydrothiopyran-3-one-4-carboxylate 在 sodium hydroxide 、 溶剂黄146 作用下， 反应 0.5h， 生成 6,7-Dihydro-2-methylthio-9H,10H-thiopyrano<3,4-d>-1,2,4-triazolo<1,5-a>pyrimidin-5-one Na salt
  参考文献：
  名称：

  Reiter, Jozsef; Esses-Reiter, Klara, Journal of Heterocyclic Chemistry, 1991, vol. 28, # 3, p. 561 - 571

  摘要：

  DOI：
• 作为产物：
  描述：

  4-[(2-乙氧基-2-氧代乙基)硫代]丁酸乙酯 在 sodium ethanolate 作用下， 以 乙醚 为溶剂， 生成 3-氧代四氢-2H-硫代吡喃-2-羧酸乙酯 、 Ethyl tetrahydrothiopyran-3-one-4-carboxylate
  参考文献：
  名称：

  Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2

  摘要：

  Directed screening has identified a novel series of non-zinc binding MMP13 inhibitors that possess good levels of activity whilst demonstrating excellent selectivity over related MMPs. A lead optimisation campaign has delivered compounds with enhanced MMP13 potency, good selectivity and acceptable bioavailability profiles leading to a predicted twice-a-day dosing regimen in man.

  DOI：

  10.1016/j.bmcl.2011.11.034

文献信息

• Novel triazolo-pyrimidine derivatives
  申请人：——

  公开号：US05064826A1

  公开（公告）日：1991-11-12

  This invention relates to novel triazolopyrimidine derivatives of formulae (Ia) and (Ib), ##STR1## wherein Q represents hydrogen, a heterocyclic group optionally substituted by a C.sub.1-4 alkyl group and containing one or more oxygen and/or nitrogen atoms or a group of formula --SR.sup.1 wherein R.sup.1 is alkyl or aralkyl, or a group of formula --NR.sup.2 R.sup.3 wherein R.sup.2 and R.sup.3 are independently hydrogen, alkyl, alkenyl, cycloalkyl, aralkyl, aryl or a heterocyclic group, m and n are independently 0, 1, 2, 3 or 4, with the provision that if m stands for 0, then n is different from 0, and if both n and m are 1 or m stands for 0 and n is 2, the Q is different from methylthio or morpholino group, their mixtures or pharmaceutically acceptable salts. Furthermore, the invention relates to a process for preparing these compounds. The compounds of formulae (Ia) and (Ib) are able to inhibit the ptosis caused by tetrabenazine and they have analgetic activity.

  本发明涉及式(Ia)和(Ib)的新型三唑嘧啶衍生物，其中Q代表氢，一个杂环基，可选地被C.sub.1-4烷基取代，并含有一个或多个氧和/或氮原子，或者是一个式--SR.sup.1的基团，其中R.sup.1是烷基或芳基烷基，或者是一个式--NR.sup.2 R.sup.3的基团，其中R.sup.2和R.sup.3独立地是氢、烷基、烯烃基、环烷基、芳基烷基、芳基或杂环基，m和n独立地为0、1、2、3或4，但要注意，如果m为0，则n不为0，如果n和m都为1或m为0且n为2，则Q不是甲硫基或吗啉基，它们的混合物或药用可接受的盐。此外，本发明涉及一种制备这些化合物的方法。式(Ia)和(Ib)的化合物能够抑制四苯嗪引起的眼睑下垂，并具有镇痛活性。
• US5064826A
  申请人：——

  公开号：US5064826A

  公开（公告）日：1991-11-12
• [EN] PYRIMIDINONE DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉES DE PYRIMIDINONE, ET LEURS MÉTHODES D'UTILISATION
  申请人：SCHERING CORP

  公开号：WO2008130581A1

  公开（公告）日：2008-10-30

  [EN] The present invention relates to Pyrimidinone Derivatives, compositions comprising a Pyrimidinone Derivative, and methods of using the Pyrimidinone Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of G protein-coupled receptor 119 ("GPR119") in a patient.
  [FR] L'invention porte sur des dérivées de pyrimidinone, des compositions les comprenant et leurs méthodes d'utilisation pour traiter ou empêcher: l'obésité, le diabète, des troubles du métabolisme, des maladies cardiovasculaires ou des dysfonctionnements liés à l'activité du récepteur couplé à la protéine G 119 ("GPR119") chez un patient.
• Lead optimisation of selective non-zinc binding inhibitors of MMP13. Part 2
  作者：Chris De Savi、Andrew D. Morley、Ian Nash、Galith Karoutchi、Ken Page、Attilla Ting、Stefan Gerhardt

  DOI：10.1016/j.bmcl.2011.11.034

  日期：2012.1

  Directed screening has identified a novel series of non-zinc binding MMP13 inhibitors that possess good levels of activity whilst demonstrating excellent selectivity over related MMPs. A lead optimisation campaign has delivered compounds with enhanced MMP13 potency, good selectivity and acceptable bioavailability profiles leading to a predicted twice-a-day dosing regimen in man.
• Reiter, Jozsef; Esses-Reiter, Klara, Journal of Heterocyclic Chemistry, 1991, vol. 28, # 3, p. 561 - 571
  作者：Reiter, Jozsef、Esses-Reiter, Klara

  DOI：——

  日期：——