Methyl 4-[methoxy(methyl)phosphoryl]benzoate | 63542-43-8

• 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: Methyl 4-[methoxy(methyl)phosphoryl]benzoate
• CAS: 63542-43-8
• 化学式: C₁₀H₁₃O₄P
• 分子量: 228.185
• InChiKey: ITIUVCCZCSZLCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 4-[methoxy(methyl)phosphoryl]benzoate 在 lithium hydroxide 、 水 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 4-[Methoxy(methyl)phosphoryl]benzoic acid
  参考文献：
  名称：

  Exploring the pharmacokinetic properties of phosphorus-containing selective HDAC 1 and 2 inhibitors (SHI-1:2)

  摘要：

  We report the preparation and structure-activity relationships of phosphorus-containing histone deacetylase inhibitors. A strong trend between decreasing phosphorus functional group size and superior mouse pharmacokinetic properties was identified. In addition, optimized candidates showed tumor growth inhibition in xenograft studies. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.009
• 作为产物：
  描述：

  monomethyl methanephosphonite 、 对溴苯甲酸甲酯 在 nickel dibromide 作用下， 生成 Methyl 4-[methoxy(methyl)phosphoryl]benzoate
  参考文献：
  名称：

  Exploring the pharmacokinetic properties of phosphorus-containing selective HDAC 1 and 2 inhibitors (SHI-1:2)

  摘要：

  We report the preparation and structure-activity relationships of phosphorus-containing histone deacetylase inhibitors. A strong trend between decreasing phosphorus functional group size and superior mouse pharmacokinetic properties was identified. In addition, optimized candidates showed tumor growth inhibition in xenograft studies. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.009

文献信息

• US3974243A
  申请人：——

  公开号：US3974243A

  公开（公告）日：1976-08-10
• US4088677A
  申请人：——

  公开号：US4088677A

  公开（公告）日：1978-05-09
• Exploring the pharmacokinetic properties of phosphorus-containing selective HDAC 1 and 2 inhibitors (SHI-1:2)
  作者：Richard W. Heidebrecht、Melissa Chenard、Joshua Close、William K. Dahlberg、Judith Fleming、Jonathan B. Grimm、Julie E. Hamill、Andreas Harsch、Brian B. Haines、Bethany Hughes、Astrid M. Kral、Richard E. Middleton、Chandrasekhar Mushti、Nicole Ozerova、Alexander A. Szewczak、Hongmei Wang、Kevin Wilson、David J. Witter、J. Paul Secrist、Thomas A. Miller

  DOI：10.1016/j.bmcl.2009.02.009

  日期：2009.4

  We report the preparation and structure-activity relationships of phosphorus-containing histone deacetylase inhibitors. A strong trend between decreasing phosphorus functional group size and superior mouse pharmacokinetic properties was identified. In addition, optimized candidates showed tumor growth inhibition in xenograft studies. (C) 2009 Elsevier Ltd. All rights reserved.