4-Ethyl-N-tert.-butyl-benzolsulfonamid-(1) | 91554-52-8

• 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-Ethyl-N-tert.-butyl-benzolsulfonamid-(1)
• 英文别名: N-tert-butyl-4-ethylbenzenesulfonamide
• CAS: 91554-52-8
• 化学式: C₁₂H₁₉NO₂S
• mdl: MFCD05086538
• 分子量: 241.354
• InChiKey: TWUYHXZYRXNJAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  54.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Ethyl-N-tert.-butyl-benzolsulfonamid-(1) 在 四(三苯基膦)钯 sodium hydroxide 、 正丁基锂 、 硼酸三异丙酯 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 5-Ethyl-4'-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-biphenyl-2-sulfonic acid amide
  参考文献：
  名称：

  L-162,389: a potent orally active angiotensin II receptor antagonist with balanced affinity to both AT1 and AT2 receptor subtypes

  摘要：

  Simple modifications made to our potent angiotensin II AT(1) selective clinical candidate MK-996 provided a compound with balanced binding affinity to both the AT(1) and the AT(2) receptor subtype. This compound. L-162,389, is orally active in rats and dogs.

  DOI：

  10.1016/0960-894x(96)00017-0
• 作为产物：
  描述：

  4-乙基苯磺酰氯 、 叔丁胺 以 二氯甲烷 为溶剂， 以90%的产率得到4-Ethyl-N-tert.-butyl-benzolsulfonamid-(1)
  参考文献：
  名称：

  L-162,389: a potent orally active angiotensin II receptor antagonist with balanced affinity to both AT1 and AT2 receptor subtypes

  摘要：

  Simple modifications made to our potent angiotensin II AT(1) selective clinical candidate MK-996 provided a compound with balanced binding affinity to both the AT(1) and the AT(2) receptor subtype. This compound. L-162,389, is orally active in rats and dogs.

  DOI：

  10.1016/0960-894x(96)00017-0

文献信息

• MODULATORS OF ATP-BINDING CASSETTE-TRANSPORTERS
  申请人：HADIDA RUAH SARA S.

  公开号：US20090143381A1

  公开（公告）日：2009-06-04

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药用可接受的组合物可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Hadida Ruah Sara S.

  公开号：US20080306062A1

  公开（公告）日：2008-12-11

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物，可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• Modulators of ATP-binding cassette transporters
  申请人：Hadida-Ruah Sara

  公开号：US20080019915A1

  公开（公告）日：2008-01-24

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTR”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组合物，可作为ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白（“CFTR”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• Modulators of ATP-Binding Cassette Transporters
  申请人：Hadida Ruah Sara S.

  公开号：US20120322798A1

  公开（公告）日：2012-12-20

  Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful as modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator (“CFTC”). The present invention also relates to methods of treating ABC transporter mediated diseases using compounds of the present invention.

  本发明的化合物及其药学上可接受的组成物，可用作ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节因子（“CFTC”）。本发明还涉及使用本发明的化合物治疗ABC转运蛋白介导的疾病的方法。
• US7659268B2
  申请人：——

  公开号：US7659268B2

  公开（公告）日：2010-02-09