trans-1-(Methylsulfonyloxy)-4-phenyl-4-(3-(2-methoxyphenyl)-3-oxo-2-azapropyl)cyclohexane | 267404-26-2

• 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: trans-1-(Methylsulfonyloxy)-4-phenyl-4-(3-(2-methoxyphenyl)-3-oxo-2-azapropyl)cyclohexane
• CAS: 267404-26-2
• 化学式: C₂₂H₂₇NO₅S
• 分子量: 417.526
• InChiKey: SBAYGYOCQTXVRY-CXGRPWHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.28
• 重原子数：
  29.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  81.7
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  trans-1-(Methylsulfonyloxy)-4-phenyl-4-(3-(2-methoxyphenyl)-3-oxo-2-azapropyl)cyclohexane 在 palladium on activated charcoal 4-二甲氨基吡啶 、 sodium azide 、 氢气 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Benzamide derivatives as blockers of Kv1.3 ion channel

  摘要：

  The voltage-gated potassium channel, Kv1.3, is present in human T-lymphocytes. Blockade of Kv1.3 results in T-cell depolarization, inhibition of T-cell activation, and attenuation of immune responses in vivo. A class of benzamide Kv1.3 channel inhibitors has been identified. The structure-activity relationship within this class of compounds in two functional assays, Rb_Kv and T-cell proliferation, is presented. In in vitro assays, trans isomers display moderate selectivity for binding to Kv1.3 over other Kv1.3 channels present in human brain. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00014-3
• 作为产物：
  描述：

  cis-1-hydroxy-4-phenyl-4-(aminomethyl)cyclohexane 在 盐酸 、 甲醇 、 sodium methylate 、 三乙胺 、 三苯基膦 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 trans-1-(Methylsulfonyloxy)-4-phenyl-4-(3-(2-methoxyphenyl)-3-oxo-2-azapropyl)cyclohexane
  参考文献：
  名称：

  Benzamide derivatives as blockers of Kv1.3 ion channel

  摘要：

  The voltage-gated potassium channel, Kv1.3, is present in human T-lymphocytes. Blockade of Kv1.3 results in T-cell depolarization, inhibition of T-cell activation, and attenuation of immune responses in vivo. A class of benzamide Kv1.3 channel inhibitors has been identified. The structure-activity relationship within this class of compounds in two functional assays, Rb_Kv and T-cell proliferation, is presented. In in vitro assays, trans isomers display moderate selectivity for binding to Kv1.3 over other Kv1.3 channels present in human brain. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00014-3

文献信息

• Carbocyclic potassium channel inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06632836B1

  公开（公告）日：2003-10-14

  The present invention relates to a class of carbocyclic compounds of Formula I that are useful as potassium channel inhibitors to treat autoimmune disorders, cardiac arrhythmias, and the like.

  本发明涉及一类具有式I结构的碳环化合物，这些化合物可作为钾通道抑制剂，用于治疗自身免疫性疾病、心律失常等病症。
• CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS
  申请人：Merck & Co., Inc.

  公开号：EP1143965B1

  公开（公告）日：2009-02-25
• EP1143965A4
  申请人：——

  公开号：EP1143965A4

  公开（公告）日：2002-10-09
• US6632836B1
  申请人：——

  公开号：US6632836B1

  公开（公告）日：2003-10-14
• [EN] CARBOCYCLIC POTASSIUM CHANNEL INHIBITORS<br/>[FR] INHIBITEURS CARBOCYCLIQUES DES CANAUX DE POTASSIUM
  申请人：MERCK & CO INC

  公开号：WO2000025770A1

  公开（公告）日：2000-05-11

  The present invention relates to a class of carbocyclic compounds of Formula (I) that are useful as potassium channel inhibitors to treat autoimmune disorders, cardiac arrhythmias, and the like.