(2-Cyclohexylsulfanyl-5-nitrophenyl)methanol | 773869-55-9

• 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: (2-Cyclohexylsulfanyl-5-nitrophenyl)methanol
• CAS: 773869-55-9
• 化学式: C₁₃H₁₇NO₃S
• 分子量: 267.349
• InChiKey: CLBPUWQGYQZJNT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  91.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2-Cyclohexylsulfanyl-5-nitrophenyl)methanol 在 三甲基溴硅烷 、 三溴化磷 作用下， 反应 34.0h， 生成
  参考文献：
  名称：

  Nitroarylhydroxymethylphosphonic acids as inhibitors of CD45

  摘要：

  A series of nitroarylhydroxymethylphosphonic acids was synthesized and evaluated as inhibitors of CD45. It was discovered that both the alpha hydroxy and nitro groups are essential for activity. Potency is enhanced by the addition of a large lipophilic group on the aryl ring adjacent to the phosphonic acid moiety. Kinetics studies have shown that these compounds are competitive inhibitors and thus bind at the active site of this enzyme. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00174-0
• 作为产物：
  描述：

  2-氯-5-硝基苯甲醛 在 氢氧化钾 、 sodium tetrahydroborate 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 0.75h， 生成 (2-Cyclohexylsulfanyl-5-nitrophenyl)methanol
  参考文献：
  名称：

  Nitroarylhydroxymethylphosphonic acids as inhibitors of CD45

  摘要：

  A series of nitroarylhydroxymethylphosphonic acids was synthesized and evaluated as inhibitors of CD45. It was discovered that both the alpha hydroxy and nitro groups are essential for activity. Potency is enhanced by the addition of a large lipophilic group on the aryl ring adjacent to the phosphonic acid moiety. Kinetics studies have shown that these compounds are competitive inhibitors and thus bind at the active site of this enzyme. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(97)00174-0

文献信息

• Nitroarylhydroxymethylphosphonic acids as inhibitors of CD45
  作者：Scott A. Beers、Elizabeth A. Malloy、Wei Wu、Michael P. Wachter、Uma Gunnia、Druie Cavender、Crafford Harris、Janet Davis、Ruth Brosius、J.Lee Pellegrino-Gensey、John Siekierka

  DOI：10.1016/s0968-0896(97)00174-0

  日期：1997.12

  A series of nitroarylhydroxymethylphosphonic acids was synthesized and evaluated as inhibitors of CD45. It was discovered that both the alpha hydroxy and nitro groups are essential for activity. Potency is enhanced by the addition of a large lipophilic group on the aryl ring adjacent to the phosphonic acid moiety. Kinetics studies have shown that these compounds are competitive inhibitors and thus bind at the active site of this enzyme. (C) 1997 Elsevier Science Ltd.