isosorbide 5-(2'-methylthio)nicotinate 2-mononitrate | 263754-95-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃类
• 英文名称: isosorbide 5-(2'-methylthio)nicotinate 2-mononitrate
• 英文别名: [(3R,3aR,6S,6aS)-6-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 2-methylsulfanylpyridine-3-carboxylate
• CAS: 263754-95-6
• 化学式: C₁₃H₁₄N₂O₇S
• 分子量: 342.329
• InChiKey: VZEJJCHAHYXGDH-LMLFDSFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-methylthionicotinic acid chloride 在 盐酸 作用下， 以 吡啶 、 氯仿 、 水 、 5-单硝酸异山梨酯 为溶剂， 生成 isosorbide 5-(2'-methylthio)nicotinate 2-mononitrate
  参考文献：
  名称：

  US2001/51735

  摘要：

  公开号：

文献信息

• Derivatives of isosorbide mononitrate and its use as vasodilating agents with reduced tolerance
  申请人：LACER, S.A.

  公开号：US20030225134A1

  公开（公告）日：2003-12-04

  Novel derivatives of isosorbide mononitrate and its pharmaceutically acceptable salts, which have vasodilating activity with a reduced effect of tolerance, of the general formula (I) 1 in which A and B individually represent any of the groups —ONO 2 and -Z-CO—R, wherein Z is an oxygen atom or sulphur atom and R is an alkyl C 1 -C 4 group, an aryl group or an aralkyl group, eventually substituted, or the group 2 in which R 1 is hydrogen, or an alkyl C 1 -C 4 group, an aryl group or an aralkyl group, eventually substituted, with the proviso that one of A or B is always —ONO 2 , but never both of them at the same time, when Z is an sulphur atom R is an alkyl C 1 -C 4 group, an aryl group or an aralkyl group, eventually substituted, and when Z is an oxygen atom R is the group 3

  新型异山梨酯单硝酸酯及其药学上可接受的盐衍生物，具有扩血管活性并减少耐受性影响，其一般式为（I）1，其中A和B分别代表以下任意一组：—ONO2和-Z-CO—R，其中Z为氧原子或硫原子，R为烷基C1-C4基团，芳基基团或芳基烷基基团，可能带有取代基；或者为以下第二组：其中R1为氢，或烷基C1-C4基团，芳基基团或芳基烷基基团，可能带有取代基，但A或B中必须始终有一个为—ONO2，但氧原子为Z时R为第三组。
• DERIVATIVES OF ISOSORBID MONONITRATE, UTILIZATION AS VASODILATOR AGENTS WITH REDUCED TOLERANCE
  申请人：LACER, S.A.

  公开号：EP1120419A1

  公开（公告）日：2001-08-01

  Disclosed are derivatives of isosorbid mononitrate and pharmaceutically acceptable salts thereof which have a vasodilator activity with a reduced tolerance effect, having the general formula (I) wherein A and B represent independently any of the groups NO2 and-CO-R, Z being an atom of oxygen or sulfur, and R being optionally substituted C1-C4 alkyl, aryl or aralkyl group or the group (a) wherein R1 is hydrogen or optionally substituted C1-C4 alkyl, aryl or aralkyl group,so that always either A or B is NO2 but never both at the same time, when Z is a sulfur atom R is optionally substituted C1-C4 alkyl, aryl or aralkyl group, and when Z is an oxygen atom R is the group (a).

  本发明公开了单硝酸异山梨醇酯的衍生物及其药学上可接受的盐，它们具有血管扩张活性，且耐受性降低，其通式为(I)，其中A和B独立地代表NO2和-CO-R基团中的任一基团，Z为氧原子或硫原子，R为任选取代的C1-C4烷基、芳基或芳烷基基团或基团(a)，其中R1为氢或任选取代的C1-C4烷基、芳基或芳烷基基团、当 Z 为硫原子时，R 为任选取代的 C1-C4 烷基、芳基或芳烷基；当 Z 为氧原子时，R 为(a)基团。
• US6858632B2
  申请人：——

  公开号：US6858632B2

  公开（公告）日：2005-02-22