N-(4-chloro-5-methyl-3-isoxazolyl)-2-[2-methyl-4,5-(methylenedioxy)-benzyl]thieno[2,3-b]pyridine-3-sulfonamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: N-(4-chloro-5-methyl-3-isoxazolyl)-2-[2-methyl-4,5-(methylenedioxy)-benzyl]thieno[2,3-b]pyridine-3-sulfonamide
• 英文别名: N-(4-chloro-5-methyl-1,2-oxazol-3-yl)-2-[(6-methyl-1,3-benzodioxol-5-yl)methyl]thieno[2,3-b]pyridine-3-sulfonamide
• 化学式: C₂₀H₁₆ClN₃O₅S₂
• 分子量: 477.9
• InChiKey: YVIVDZFWKDWMMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  140
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(4-chloro-5-methyl-3-isoxazolyl)-N-(methoxyethoxymethyl)-2-[2-methyl-4,5-(methylenedioxy)benzyl]thieno[2,3-b]pyridine-3-sulfonamide 、 盐酸 在 N-(4-chloro-5-methyl-3-isoxazolyl)-2-[2-methyl-4,5-(methylenedioxy)-benzyl]thieno[2,3-b]pyridine-3-sulfonamide 、 氯仿 、 hexanes 作用下， 以 甲醇 为溶剂， 以provided 40 mg (80%) of the title compound as a white solid, m.p. 189-191° C.的产率得到N-(4-chloro-5-methyl-3-isoxazolyl)-2-[2-methyl-4,5-(methylenedioxy)-benzyl]thieno[2,3-b]pyridine-3-sulfonamide
  参考文献：
  名称：

  Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin

  摘要：

  提供用于调节内皮素肽活性的方法、组合物和化合物。这些方法使用含有化合物的组合物，所述化合物包括下式中的化合物：1，其中X从包括O、S和NH的基团中选择；Y从O+和N中选择，R1和R2各自独立地从烷基、较低的烯基、较低的炔基、较低的卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从包括氢、卤素、烷氧基、烷基、卤代烷基的基团中选择；R7从包括(CH2)、R18的基团中选择，其中r为0到6，R18从包括芳基，特别是吡啶基和苯基的基团中选择。这些方法通过在接触内皮素受体之前、同时或之后使用含有一种或多种化合物的组合物与内皮素肽受体接触来实现。

  公开号：

  US20020028829A1
• 作为试剂：
  描述：

  N-(4-chloro-5-methyl-3-isoxazolyl)-N-(methoxyethoxymethyl)-2-[2-methyl-4,5-(methylenedioxy)benzyl]thieno[2,3-b]pyridine-3-sulfonamide 、 盐酸 在 N-(4-chloro-5-methyl-3-isoxazolyl)-2-[2-methyl-4,5-(methylenedioxy)-benzyl]thieno[2,3-b]pyridine-3-sulfonamide 、 氯仿 、 hexanes 作用下， 以 甲醇 为溶剂， 以provided 40 mg (80%) of the title compound as a white solid, m.p. 189-191° C.的产率得到N-(4-chloro-5-methyl-3-isoxazolyl)-2-[2-methyl-4,5-(methylenedioxy)-benzyl]thieno[2,3-b]pyridine-3-sulfonamide
  参考文献：
  名称：

  Thieno-pyridine sulfonamides derivatives thereof and related compounds

  摘要：

  提供了调节内皮素肽活性的方法、组合物和化合物。该方法使用含有以下式子的化合物的组合物：##STR1## 其中X从包括O、S和NH的群体中选择；Y从O.sup.+和N中选择，R.sup.1和R.sup.2各自独立地从烷基、较低的烯基、较低的炔基、较低的卤代烷基、卤素、假卤素或H中选择，但R.sup.2不是卤素。R.sup.3、R.sup.4和R.sup.5从包括氢、卤素、烷氧基、烷基、卤代烷基的群体中选择；R.sup.7从包括(CH.sub.2).sub.rR.sup.18的群体中选择，其中r为0至6，R.sup.18从包括芘啶基和苯基的群体中选择。该方法通过在接触内皮素肽受体之前、同时或之后与一种或多种化合物或含有一种或多种化合物的组合物接触内皮素受体来实现。

  公开号：

  US06013655A1

文献信息

• THIENO-PYRIDINE SULFONAMIDES DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN
  申请人：——

  公开号：US20010014684A1

  公开（公告）日：2001-08-16

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: 1 where X is selected from groups that include O, S, and NH; Y is selected from O + and N, and R 1 and R 2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R 2 is not halide. R 3 , R 4 and R 5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R 7 is selected from groups that include (CH 2 ) r R 18 , in which r is 0 to 6 and R 18 is selected from groups that include aryl, particularly pyrimidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  本发明提供了用于调节内皮素肽活性的方法、组合物和化合物。该方法使用包含下列公式1中化合物的组合物：其中X选自包括O、S和NH的基团；Y选自O+和N，R1和R2各自独立地选自烷基、较低烯基、较低炔基、较低卤代烷基、卤素、伪卤素或H，但R2不是卤素。R3、R4和R5选自包括氢、卤素、烷氧基、烷基、卤代烷基的基团；R7选自包括(CH2)rR18的基团，其中r为0到6，R18选自包括芳基，特别是嘧啶基和苯基的基团。该方法通过在与内皮素肽接触之前、同时或之后将内皮素受体与一个或多个化合物或包含一个或多个化合物的组合物接触来实现。
• Thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin
  申请人：——

  公开号：US20020028829A1

  公开（公告）日：2002-03-07

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: 1 where X is selected from groups that include O, S, and NH; Y is selected from O + and N, and R 1 and R 2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R 2 is not halide. R 3 , R 4 and R 5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R 7 is selected from groups that include (CH 2 ),R 18 , in which r is 0 to 6 and R 18 is selected from groups that include aryl, particularly pyrmidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  提供用于调节内皮素肽活性的方法、组合物和化合物。这些方法使用含有化合物的组合物，所述化合物包括下式中的化合物：1，其中X从包括O、S和NH的基团中选择；Y从O+和N中选择，R1和R2各自独立地从烷基、较低的烯基、较低的炔基、较低的卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从包括氢、卤素、烷氧基、烷基、卤代烷基的基团中选择；R7从包括(CH2)、R18的基团中选择，其中r为0到6，R18从包括芳基，特别是吡啶基和苯基的基团中选择。这些方法通过在接触内皮素受体之前、同时或之后使用含有一种或多种化合物的组合物与内皮素肽受体接触来实现。
• Use of thieno-pyridine sulfonamides derivatives thereof and related compounds that modulate the activity of endothelin
  申请人：Texas Biotechnology Corporation.

  公开号：US06329387B2

  公开（公告）日：2001-12-11

  Methods, compositions, and compounds for modulating the activity of an endothelin peptide are provided. The methods use compositions that contain compounds that include those of the formula: where X is selected from groups that include O, S, and NH; Y is selected from O+ and N, and R1 and R2 are each selected independently from among alkyl, lower alkenyl, lower alkynyl, lower haloalkyl, halide, pseudohalide or H, except that R2 is not halide. R3, R4 and R5 are selected from among groups that include hydrogen, halide, alkoxy, alkyl, haloalkyl; and R7 is selected from groups that include (CH2)rR18, in which r is 0 to 6 and R18 is selected from groups that include aryl, particularly pyrimidinyl and phenyl. The methods are effected by contacting endothelin receptors with one or more of the compounds or with compositions containing one or more of the compounds prior to, simultaneously with, or subsequent to contacting the receptors with an endothelin peptide.

  本发明提供了用于调节内皮素肽活性的方法、组合物和化合物。该方法使用含有以下化合物的组合物：其中X从包括O、S和NH的群体中选择；Y从O+和N中选择，R1和R2各自独立地从烷基、低烯丙基、低炔基、低卤代烷基、卤素、伪卤素或H中选择，但R2不是卤素。R3、R4和R5从氢、卤素、烷氧基、烷基、卤代烷基等群体中选择；R7从(CH2)rR18的群体中选择，其中r为0到6，R18从芳基中选择，特别是嘧啶基和苯基。该方法通过在将内皮素受体与一种或多种化合物或含有一种或多种化合物的组合物接触之前、同时或之后接触内皮素肽来实现。
• THIENO-PYRIDINE SULFONAMIDES, DERIVATIVES THEREOF AND RELATED COMPOUNDS THAT MODULATE THE ACTIVITY OF ENDOTHELIN
  申请人：ENCYSIVE PHARMACEUTICALS INC.

  公开号：EP0898571B1

  公开（公告）日：2003-11-19
• US6013655A
  申请人：——

  公开号：US6013655A

  公开（公告）日：2000-01-11