3-{6-[2-(5-Bromopyrimidin-2-yloxy)ethoxy]-4-(4-tert-butylbenzene-sulfonamido)-5-(2-methoxyphenoxy)pyrimidin-2-ylthio}propionic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-{6-[2-(5-Bromopyrimidin-2-yloxy)ethoxy]-4-(4-tert-butylbenzene-sulfonamido)-5-(2-methoxyphenoxy)pyrimidin-2-ylthio}propionic acid
• 英文别名: 3-[4-[2-(5-Bromo-pyrimidin-2-yloxy)-ethoxy]-6-(4-tert-butyl-benzenesulfonylamino)-5-(2-methoxy-phenoxy)-pyrimidin-2-ylsulfanyl]-propionic acid；3-[4-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-2-yl]sulfanylpropanoic acid
• 化学式: C₃₀H₃₂BrN₅O₈S₂
• 分子量: 734.649
• InChiKey: ZFLGFHWMRBZNLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  46
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  206
• 氢给体数：
  2
• 氢受体数：
  14

文献信息

• Sulfonamide derivative and process for preparing the same
  申请人：TANABE SEIYAKU CO., LTD.

  公开号：EP0743307A1

  公开（公告）日：1996-11-20

  Novel sulfonamide derivatives of the formula [I]: wherein Ring A and Ring B are substituted or unsubstituted monocyclic, bicyclic or tricyclic hydrocarbon, or substituted or unsubstituted heterocyclic group, Q is single bond, ―O―, ―S―, ―SO―, ―SO2― or ―CH2―, Y is ―O―, ―S― or ―NH―, Alk is lower alkylene or alkenylene, Z is ―O― or ―NH―, R is substituted or unsubstituted aromatic heterocyclic or aryl, R1 is H, trifluoromethyl, substituted or unsubstituted amino, substituted or unsubstituted lower alkyl, alkenyl, alkynyl, substituted or unsubstituted lower alkylthio, or alkoxy, or substituted or unsubstituted heterocyclic or aryl, or pharmaceutically acceptable salts thereof, which are useful in the prophylaxis or treatment of disorders associated with endothelin activities such as hypertension, pulmonary hypertension, renal hypertension, Raynaud disease, bronchial asthma, gastric ulcer, chronic heart failure, etc.

  式[I]的新型磺酰胺衍生物： 其中环 A 和环 B 是取代或未取代的单环、双环或三环烃，或取代或未取代的杂环基团，Q 是单键、-O-、-S-、-SO-、-SO2- 或-CH2-、Y 是-O-、-S-或-NH-，Alk 是低级亚烷基或烯基，Z 是-O-或-NH-，R 是取代或未取代的芳香杂环或芳基，R1 是 H、三氟甲基、取代或未取代的氨基、取代或未取代的低级烷基、取代或未取代的芳香杂环或芳基、取代或未取代的低级烷基、烯基、炔基、取代或未取代的低级烷硫基、或烷氧基、或取代或未取代的杂环或芳基，或其药学上可接受的盐，可用于预防或治疗与内皮素活性相关的疾病，如高血压、肺动脉高压、肾性高血压、雷诺氏病、支气管哮喘、胃溃疡、慢性心力衰竭等。