thiacycloheptan-3-one 1,1-dioxide | 36165-01-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻庚烷
• 英文名称: thiacycloheptan-3-one 1,1-dioxide
• 英文别名: thiepan-3-one-1,1-dioxide；1,1-dioxo-1λ⁶-thiepan-3-one；thiacycloheptane-3-one-1, 1-dioxide；thiacycloheptane-3-one-1,1-dioxide；1-Thiacycloheptan-3-on-1,1-dioxid；1,1-dioxothiepan-3-one
• CAS: 36165-01-2
• 化学式: C₆H₁₀O₃S
• 分子量: 162.21
• InChiKey: YZZMNMCXPNZNIU-UHFFFAOYSA-N

物化性质

• 熔点：
  108-110 °C
• 沸点：
  385.4±35.0 °C(Predicted)
• 密度：
  1.274±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  thiacycloheptan-3-one 1,1-dioxide 以 甲醇 、 甲苯 为溶剂， 反应 5.0h， 生成 Methyl 2,3,4,5,6,9-hexahydro-7-methyl-9-(2-nitrophenyl)-1,1-dioxothiacyclohepteno<3,2-b>pyridine-8-carboxylate
  参考文献：
  名称：

  Dodd, John H.; Schwender, Charles F.; Gray-Nunez, Yolanda, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1453 - 1456

  摘要：

  DOI：
• 作为产物：
  描述：

  二氢-2H-硫代吡喃-3(4h)-酮 在 sodium tetrahydroborate 、 jones reagent 、 硫酸 、 四氯化锡 、 间氯过氧苯甲酸 作用下， 以 甲醇 、 乙醚 、 乙醇 、 氯仿 、 水 、 丙酮 为溶剂， 反应 22.0h， 生成 thiacycloheptan-3-one 1,1-dioxide
  参考文献：
  名称：

  Dodd, John H.; Schwender, Charles F.; Gray-Nunez, Yolanda, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1453 - 1456

  摘要：

  DOI：

文献信息

• Potassium channel openers
  申请人：Abbott Laboratories

  公开号：US06265417B1

  公开（公告）日：2001-07-24

  Compounds having the formula are useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.

  具有该化学式的化合物在治疗由钾通道开放剂预防或改善的疾病方面是有用的。还公开了钾通道开放组合物和在哺乳动物中开放钾通道的方法。
• [EN] POTASSIUM CHANNEL OPENERS<br/>[FR] COMPOSES OUVRANT LES CANAUX POTASSIUM
  申请人：ABBOTT LABORATORIES

  公开号：WO1999031059A1

  公开（公告）日：1999-06-24

  (EN) Compounds having the formula (I) are useful in treating diseases prevented by or ameliorated with potassium channel openers. Also disclosed are potassium channel opening compositions and a method of opening potassium channels in a mammal.(FR) L'invention concerne des composés représentés par la formule (I), qui sont utiles pour le traitement des maladies qu'il est possible de prévenir ou d'améliorer au moyen de composés ouvrant les canaux potassium. L'invention concerne également des compositions permettant d'ouvrir les canaux potassium et un procédé permettant d'ouvrir les canaux potassium chez un mammifère.

  (EN) 具有公式（I）的化合物在治疗由钾通道开放剂预防或改善的疾病方面具有用途。还公开了开放钾通道的组合物和在哺乳动物中开放钾通道的方法。 (FR) 公式（I）表示的化合物对于治疗通过钾通道开放剂预防或改善的疾病具有用途。还揭示了开放钾通道的组合物和在哺乳动物中开放钾通道的方法。
• Substituted thiacycloalkeno [3,2-b] pyridines, methods of preparation, compositions and method of use
  申请人：ORTHO PHARMACEUTICAL CORPORATION

  公开号：EP0241281A2

  公开（公告）日：1987-10-14

  Novel substituted thiacycloalkeno [3,2-b] pyridines are described. These compounds are useful as calcium channel antagonists with cardiovascular, antiasthmatic and anti- bronchoconstrictor activity.

  介绍了新型取代的硫代环烯烃 [3,2-b] 吡啶。这些化合物是有用的钙通道拮抗剂，具有心血管、抗哮喘和抗支气管收缩活性。
• Synthesis and Structure−Activity Relationships of a Novel Series of 2,3,5,6,7,9-Hexahydrothieno[3,2-<i>b</i>]quinolin-8(4<i>H</i>)-one 1,1-Dioxide K_ATP Channel Openers:  Discovery of (−)-(9<i>S</i>)-9-(3-Bromo-4-fluorophenyl)-2,3,5,6,7,9- hexahydrothieno[3,2-<i>b</i>]quinolin-8(4<i>H</i>)-one 1,1-Dioxide (A-278637), a Potent K_ATP Opener That Selectively Inhibits Spontaneous Bladder Contractions
  作者：William A. Carroll、Robert J. Altenbach、Hao Bai、Jorge D. Brioni、Michael E. Brune、Steven A. Buckner、Christopher Cassidy、Yiyuan Chen、Michael J. Coghlan、Anthony V. Daza、Irene Drizin、Thomas A. Fey、Michael Fitzgerald、Murali Gopalakrishnan、Robert J. Gregg、Rodger F. Henry、Mark W. Holladay、Linda L. King、Michael E. Kort、Philip R. Kym、Ivan Milicic、Rui Tang、Sean C. Turner、Kristi L. Whiteaker、Lin Yi、Henry Zhang、James P. Sullivan

  DOI：10.1021/jm030356w

  日期：2004.6.1

  Structure-activity relationships were investigated on a novel series of sulfonyldihydropyridine-containing K-ATP openers. Ring sizes, absolute stereochemistry, and aromatic substitution were evaluated for K-ATP activity in guinea pig bladder cells using a fluorescence-based membrane potential assay and in a pig bladder strip assay. The inhibition of spontaneous bladder contractions in vitro was also examined for a select group of compounds. All compounds studied showed greater potency to inhibit spontaneous bladder contractions relative to their potencies to inhibit contractions elicited by electrical stimulation. In an anesthetized pig model of myogenic bladder overactivity, compound 14 and (-)-cromakalim 1 were found to inhibit spontaneous bladder contractions in vivo at plasma concentrations lower than those that affected hemodynamic parameters. Compound 14 showed approximately 5-fold greater selectivity than I in vivo and supports the concept that bladder-selective K-ATP channel openers may have utility in the treatment of overactive bladder.
• A Convenient Multigram Scale Synthesis of Tetrahydrothiophene‐3‐one‐1,1‐dioxide
  作者：Robert J. Altenbach、Ladislav Kalvoda、William A. Carroll

  DOI：10.1081/scc-120027703

  日期：2004.12.31

  A short and efficient multigram scale synthesis of tetrahydrothiophene-3-one-1,1-dioxide is described.