N-[3-(pyridine-3-sulfonyl)-5-(1-triisopropylsilanyl-1H-indol-4-yl)-phenyl]-acetamide | 915413-24-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[3-(pyridine-3-sulfonyl)-5-(1-triisopropylsilanyl-1H-indol-4-yl)-phenyl]-acetamide
• 英文别名: N-[3-pyridin-3-ylsulfonyl-5-[1-tri(propan-2-yl)silylindol-4-yl]phenyl]acetamide
• CAS: 915413-24-0
• 化学式: C₃₀H₃₇N₃O₃SSi
• 分子量: 547.794
• InChiKey: JHWJKNTUQZCDNR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.52
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  89.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[3-(pyridine-3-sulfonyl)-5-(1-triisopropylsilanyl-1H-indol-4-yl)-phenyl]-acetamide 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 生成 N-[3-(1H-indol-4-yl)-5-(pyridine-3-sulfonyl)-phenyl]-acetamide
  参考文献：
  名称：

  Efficient synthesis of 1,3,5-trisubstituted benzenes via three Pd-mediated carbon–sulfur, carbon–nitrogen and carbon–carbon bond formation reactions

  摘要：

  An efficient synthesis of 1,3,5-trisubstituted benzenes via a sequential Pd-mediated carbon-sulfur, carbon-nitrogen, and carbon-carbon bond formation reactions is reported. Selective amidation and sulfonamidation reactions are accomplished via Pd-catalyzed reactions between aryl chlorides and an acetamide or a methanesulfonamide. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.140
• 作为产物：
  描述：

  3-(3,5-dichloro-benzenesulfonyl)-pyridine 在 tris-(dibenzylideneacetone)dipalladium(0) 、 chloro(di-2-norbornylphosphino)(2'-dimethylamino-1,1'-biphenyl-2-yl)palladium(II) 、 potassium carbonate 、 caesium carbonate 、 4,5-双二苯基膦-9,9-二甲基氧杂蒽 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 生成 N-[3-(pyridine-3-sulfonyl)-5-(1-triisopropylsilanyl-1H-indol-4-yl)-phenyl]-acetamide
  参考文献：
  名称：

  Efficient synthesis of 1,3,5-trisubstituted benzenes via three Pd-mediated carbon–sulfur, carbon–nitrogen and carbon–carbon bond formation reactions

  摘要：

  An efficient synthesis of 1,3,5-trisubstituted benzenes via a sequential Pd-mediated carbon-sulfur, carbon-nitrogen, and carbon-carbon bond formation reactions is reported. Selective amidation and sulfonamidation reactions are accomplished via Pd-catalyzed reactions between aryl chlorides and an acetamide or a methanesulfonamide. (c) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.01.140

文献信息

• Anti-cancer agents and uses thereof
  申请人：Kelly Martha

  公开号：US20060270686A1

  公开（公告）日：2006-11-30

  The present invention is in the area of novel compounds and salts thereof, their syntheses, and their use as anti-cancer agents. The compounds include compounds of Formula I: and solvates, hydrates and pharmaceutically-acceptable salts thereof, wherein A 1 is N or CR 1 ; A 3 is N or CR 3 ; A 5 is N or CR 5 ; R 1 , R 3 —R 6 and L are defined in the specification; n is 0 or 1; and X is an optionally-substituted aryl group having 6-10 carbons in the ring portion, an optionally-substituted 6-membered heteroaryl group having 1-3 nitrogen atoms in the ring portion, an optionally-substituted 5-membered heteroaryl group having 0-4 nitrogen atoms in the ring portion and optionally having 1 sulfur atom or 1 oxygen atom in the ring portion, or an optionally-substituted heteroaryl group in which a 6-membered ring is fused either to a 5-membered ring or to a 6-membered ring, wherein in each case 1, 2, 3 or 4 ring atoms are heteroatoms independently selected from nitrogen, oxygen and sulfur. They are effective against a broad range of cancers, especially leukemia, non-small cell lung and colon.

  本发明涉及新颖化合物及其盐、合成方法和用作抗癌药物的用途。这些化合物包括公式I的化合物及其溶剂化物、水合物和药学上可接受的盐，其中A1为N或CR1；A3为N或CR3；A5为N或CR5；R1、R3-R6和L在规范中有定义；n为0或1；X为环部分有6-10个碳的可选取代芳基、环部分有1-3个氮原子的可选取代6元杂芳基、环部分有0-4个氮原子且可选取代环部分有1个硫原子或1个氧原子的可选取代5元杂芳基，或者是6元环与5元环或6元环融合的可选取代杂芳基，其中在每种情况下，1、2、3或4个环原子独立选择自氮、氧和硫的杂原子。它们对广泛的癌症有效，特别是对白血病、非小细胞肺癌和结肠癌有效。
• ANTI-CANCER AGENTS AND USES THEREOF
  申请人：KELLY Martha

  公开号：US20090093479A1

  公开（公告）日：2009-04-09

  The present invention is in the area of novel compounds and salts thereof, their syntheses, and their use as anti-cancer agents. The compounds include compounds of Formula I: and solvates, hydrates and pharmaceutically-acceptable salts thereof, wherein A 1 is N or CR 1 ; A 3 is N or CR 3 ; A 5 is N or CR 5 ; R 1 , R 3 -R 6 and L are defined in the specification; n is 0 or 1; and X is an optionally-substituted aryl group having 6-10 carbons in the ring portion, an optionally-substituted 6-membered heteroaryl group having 1-3 nitrogen atoms in the ring portion, an optionally-substituted 5-membered heteroaryl group having 0-4 nitrogen atoms in the ring portion and optionally having 1 sulfur atom or 1 oxygen atom in the ring portion, or an optionally-substituted heteroaryl group in which a 6-membered ring is fused either to a 5-membered ring or to a 6-membered ring, wherein in each case 1, 2, 3 or 4 ring atoms are heteroatoms independently selected from nitrogen, oxygen and sulfur. They are effective against a broad range of cancers, especially leukemia, non-small cell lung and colon.

  本发明涉及新化合物及其盐，它们的合成方法以及它们作为抗癌剂的用途。这些化合物包括式I的化合物及其溶剂化物、水化物和药学上可接受的盐，其中A1为N或CR1；A3为N或CR3；A5为N或CR5；R1、R3-R6和L在规范中有定义；n为0或1；X是一个具有6-10个碳原子的环部分可选取代的芳基基团，一个具有1-3个氮原子的环部分可选取代的6元杂芳基基团，一个具有0-4个氮原子并可选地在环部分含有1个硫原子或1个氧原子的5元杂芳基基团，或者一个6元环与一个5元环或6元环融合的可选取代的杂芳基基团，在每种情况下，1、2、3或4个环原子是独立选择的氮、氧和硫杂原子。它们对广泛的癌症，尤其是白血病、非小细胞肺癌和结肠癌都有良好的治疗效果。
• Efficient synthesis of 1,3,5-trisubstituted benzenes via three Pd-mediated carbon–sulfur, carbon–nitrogen and carbon–carbon bond formation reactions
  作者：Bin Liu、Rupa S. Shetty、Kristofer K. Moffett、Martha J. Kelly

  DOI：10.1016/j.tetlet.2011.01.140

  日期：2011.4

  An efficient synthesis of 1,3,5-trisubstituted benzenes via a sequential Pd-mediated carbon-sulfur, carbon-nitrogen, and carbon-carbon bond formation reactions is reported. Selective amidation and sulfonamidation reactions are accomplished via Pd-catalyzed reactions between aryl chlorides and an acetamide or a methanesulfonamide. (c) 2011 Elsevier Ltd. All rights reserved.