4-phenylaminosulphonyl-2-amino-N-methyl-aniline | 66315-37-5

• 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: 4-phenylaminosulphonyl-2-amino-N-methyl-aniline
• 英文别名: 3-amino-4-(methylamino)-N-phenylbenzenesulfonamide
• CAS: 66315-37-5
• 化学式: C₁₃H₁₅N₃O₂S
• 分子量: 277.347
• InChiKey: KCQQGLXXODIRQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  92.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  7-(3,4-Dichlorophenyl)-4,7-dihydro-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid 、 4-phenylaminosulphonyl-2-amino-N-methyl-aniline 在 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 生成 2-[7-(3,4-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-1-methyl-N-phenylbenzimidazole-5-sulfonamide
  参考文献：
  名称：

  Dihydropyrazolopyrimidines containing benzimidazoles as KV1.5 potassium channel antagonists

  摘要：

  Dihydropyrazolopyrimidines with a C6 heterocycle substituent were found to have high potency for block of K(V)1.5. Investigation of the substitution in the benzimidazole ring and the substituent in the 5-position of the dihydropyrazolopyrimidine ring produced 31 a with an IC50 for K(V)1.5 block of 0.030 mu M without significant block of other cardiac ion channels. This compound also showed good bioavailability in rats and robust pharmacodynamic effects in a rabbit model. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.083
• 作为产物：
  描述：

  4-苯基氨基磺酰基-2-硝基-N-甲基苯胺 生成 4-phenylaminosulphonyl-2-amino-N-methyl-aniline
  参考文献：
  名称：

  DD133810

  摘要：

  公开号：

文献信息

• US6114532A
  申请人：——

  公开号：US6114532A

  公开（公告）日：2000-09-05
• Dihydropyrazolopyrimidines containing benzimidazoles as KV1.5 potassium channel antagonists
  作者：John Lloyd、Heather J. Finlay、Karnail Atwal、Alexander Kover、Joseph Prol、Lin Yan、Rao Bhandaru、Wayne Vaccaro、Tram Huynh、Christine S. Huang、MaryLee Conder、Tonya Jenkins-West、Huabin Sun、Danshi Li、Paul Levesque

  DOI：10.1016/j.bmcl.2009.07.083

  日期：2009.9

  Dihydropyrazolopyrimidines with a C6 heterocycle substituent were found to have high potency for block of K(V)1.5. Investigation of the substitution in the benzimidazole ring and the substituent in the 5-position of the dihydropyrazolopyrimidine ring produced 31 a with an IC50 for K(V)1.5 block of 0.030 mu M without significant block of other cardiac ion channels. This compound also showed good bioavailability in rats and robust pharmacodynamic effects in a rabbit model. (C) 2009 Elsevier Ltd. All rights reserved.
• DD133810
  申请人：——

  公开号：——

  公开（公告）日：——