pentafluorophenyl 6'-amino-5'-(aminocarbonyl)-1,1':3',1''-terphenyl-4-sulfonate | 928656-95-5

• 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: pentafluorophenyl 6'-amino-5'-(aminocarbonyl)-1,1':3',1''-terphenyl-4-sulfonate
• 英文别名: (2,3,4,5,6-Pentafluorophenyl) 4-(2-amino-3-carbamoyl-5-phenylphenyl)benzenesulfonate；(2,3,4,5,6-pentafluorophenyl) 4-(2-amino-3-carbamoyl-5-phenylphenyl)benzenesulfonate
• CAS: 928656-95-5
• 化学式: C₂₅H₁₅F₅N₂O₄S
• 分子量: 534.463
• InChiKey: VGRPXHVYGCARLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  N-(3-氨丙基)吗啉 、 pentafluorophenyl 6'-amino-5'-(aminocarbonyl)-1,1':3',1''-terphenyl-4-sulfonate 以 四氢呋喃 为溶剂， 生成 6'-amino-4-{[(3-(4-morpholinyl)propyl)amino]sulfonyl}-1,1':3',1''-terphenyl-5'-carboxamide
  参考文献：
  名称：

  The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-α and IKK-β kinases

  摘要：

  A potent and selective series of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta is described. The most potent compounds are 8h, 8r and 8v, with IKK-beta inhibitory potencies of pIC(50) 7.0, 6.8 and 6.8, respectively. The series has excellent selectivity, both within the IKK family over IKK-epsilon, and across a wide variety of kinase assays. The potency of 8h in the IKK-beta enzyme assay translates to significant cellular activity (pIC(50) 5.7-6.1) in assays of functional and mechanistic relevance. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.088
• 作为产物：
  描述：

  2-氨基-5-碘苯甲酸 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride N-溴代丁二酰亚胺(NBS) 、 氨 、 sodium carbonate 、 溶剂黄146 作用下， 以 四氢呋喃 、 1,4-二氧六环 为溶剂， 生成 pentafluorophenyl 6'-amino-5'-(aminocarbonyl)-1,1':3',1''-terphenyl-4-sulfonate
  参考文献：
  名称：

  The discovery of 2-amino-3,5-diarylbenzamide inhibitors of IKK-α and IKK-β kinases

  摘要：

  A potent and selective series of 2-amino-3,5-diarylbenzamide inhibitors of IKK-alpha and IKK-beta is described. The most potent compounds are 8h, 8r and 8v, with IKK-beta inhibitory potencies of pIC(50) 7.0, 6.8 and 6.8, respectively. The series has excellent selectivity, both within the IKK family over IKK-epsilon, and across a wide variety of kinase assays. The potency of 8h in the IKK-beta enzyme assay translates to significant cellular activity (pIC(50) 5.7-6.1) in assays of functional and mechanistic relevance. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.088

文献信息

• WO2007/25575
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] O-HYDROXY- AND O-AMINO BENZAMIDE DERIVATIVES AS IKK2 INHIBITORS<br/>[FR] DÉRIVÉS O-HYDROXY- ET O-AMINO BENZAMIDE COMME INHIBITEURS IKK2
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2007025575A1

  公开（公告）日：2007-03-08

  [EN] A compound of Formula (I).
  [FR] La présente invention concerne un composé de formule (I).