4-[4-(methane-sulfonamido)phenyl]butyric acid,N-methoxy-N-methylamide | 192774-16-6

• 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: 4-[4-(methane-sulfonamido)phenyl]butyric acid,N-methoxy-N-methylamide
• 英文别名: 4-[4-(methanesulfonamido)phenyl]butyric acid,N-methoxy-N-methylamide；4-[4-(methanesulfonamido)phenyl]butyric acid, N-methoxy-N-methylamide；4-[4-(methanesulfonamido)phenyl]butyric acid. N-methoxy-N-methylamide；4-[4-(methanesulfonamido)phenyl]-N-methoxy-N-methylbutanamide
• CAS: 192774-16-6
• 化学式: C₁₃H₂₀N₂O₄S
• 分子量: 300.379
• InChiKey: FEZVELCIXPPBJE-UHFFFAOYSA-N

物化性质

• 沸点：
  428.4±55.0 °C(Predicted)
• 密度：
  1.254±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  84.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-[4-(methane-sulfonamido)phenyl]butyric acid,N-methoxy-N-methylamide 在 氢氧化钾 、 sodium tetrahydroborate 、 lithium aluminium tetrahydride 、 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 magnesium sulfate 、 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 、 氘代氯仿 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Substituted Indole-5-carboxamides and -acetamides as Potent Nonpeptide GnRH Receptor Antagonists

  摘要：

  The 2-aryltryptamine class of GnRH receptor antagonists has been modified to incorporate carboxamide and acetamide substituents at the indole 5-position. With either a phenol or methanesulfonamide terminus on the N-aralkyl side chain, potent binding affinity to the GnRH receptor was achieved. A functional assay for GnRH antagonism was even more sensitive to structural modification and revealed a strong preference for branched tertiary amides. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00274-8
• 作为产物：
  描述：

  4-(4-硝基苯)丁酸 在 palladium dihydroxide 吡啶 、 氢气 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 4-[4-(methane-sulfonamido)phenyl]butyric acid,N-methoxy-N-methylamide
  参考文献：
  名称：

  Substituted Indole-5-carboxamides and -acetamides as Potent Nonpeptide GnRH Receptor Antagonists

  摘要：

  The 2-aryltryptamine class of GnRH receptor antagonists has been modified to incorporate carboxamide and acetamide substituents at the indole 5-position. With either a phenol or methanesulfonamide terminus on the N-aralkyl side chain, potent binding affinity to the GnRH receptor was achieved. A functional assay for GnRH antagonism was even more sensitive to structural modification and revealed a strong preference for branched tertiary amides. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00274-8