2-环己基硫代-5-硝基苯甲醛 | 175278-46-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-环己基硫代-5-硝基苯甲醛
• 英文名称: 2-(Cyclohexylthio)-5-nitrobenzaldehyde
• 英文别名: 2-cyclohexylsulfanyl-5-nitrobenzaldehyde
• CAS: 175278-46-3
• 化学式: C₁₃H₁₅NO₃S
• mdl: MFCD00084990
• 分子量: 265.333
• InChiKey: KKPVOEAECFNQNB-UHFFFAOYSA-N

物化性质

• 沸点：
  416.2±40.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  88.2
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 海关编码：
  2930909090

反应信息

• 作为反应物：
  描述：

  2-环己基硫代-5-硝基苯甲醛 在 aluminum oxide 、 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， 反应 36.0h， 生成 [(2-Cyclohexylsulfanyl-5-nitro-phenyl)-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-methyl]-phosphonic acid diethyl ester
  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：

  环己硫醇 、 2-氯-5-硝基苯甲醛 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 0.25h， 生成 2-环己基硫代-5-硝基苯甲醛
  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

• Novel hydroxyphosphonate inhibitors of CD-45 tyrosine phosphatase
  作者：Roger F. Frechette、Caridad Ackerman、Scott Beers、Rich Look、John Moore

  DOI：10.1016/s0960-894x(97)00390-9

  日期：1997.9

  CD-45 tyrosine phosphatase [E.C. 3.1.3.48] is an important player in the regulation of cell activation and proliferation in hematopoetic cells. As part of a program in immune response modulation, we prepared the first series of small organic molecule inhibitors of CD-45. The preparation and in vitro screening of these hydroxyphosphonates is described herein. (C) 1997 Elsevier Science Ltd.
• TELOMERASE INHIBITORS AND METHODS OF THEIR USE
  申请人：Geron Corporation

  公开号：EP1109796A1

  公开（公告）日：2001-06-27
• US5994563A
  申请人：——

  公开号：US5994563A

  公开（公告）日：1999-11-30
• US6518268B1
  申请人：——

  公开号：US6518268B1

  公开（公告）日：2003-02-11
• [EN] TELOMERASE INHIBITORS AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE TELOMERASE ET LEURS PROCEDES D'UTILISATION
  申请人：GERON CORP

  公开号：WO2001002377A1

  公开（公告）日：2001-01-11

  Thiazolidinedione compounds, compositions, and methods of inhibiting telomerase activity in vitro and treatmnet of telomerase mediated conditions or diseases ex vivo and in vivo are provided. The methods, compounds and compositions of the invention may be employed alone, or in combination with other pharmacologically active agents in the treatment of conditions or diseases mediated by telomerase activity, such as in the treatment of cancer. Also disclosed are novel methods for assaying or screening for inhibitors of telomerase activity.