2,2-Bis(3-fluorophenyl)acetic acid | 927802-68-4

• 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: 2,2-Bis(3-fluorophenyl)acetic acid
• 英文别名: 2,2-bis(3-fluorophenyl)acetic acid
• CAS: 927802-68-4
• 化学式: C₁₄H₁₀F₂O₂
• 分子量: 248.229
• InChiKey: ZOEITZRWMWCWME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-Bis(3-fluorophenyl)acetic acid 在 盐酸羟胺 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2,2-bis(3-fluorophenyl)-N-hydroxyacetamide
  参考文献：
  名称：

  Diphenylmethylene hydroxamic acids as selective class IIa histone deacetylase inhibitors

  摘要：

  We have identified a series of diphenylmethylene hydroxamic acids as novel and selective HDAC class IIa inhibitors. The original hit, N-hydroxy-2,2-diphenylacetamide (6), has sub-micromolar class IIa HDAC inhibitory activity, while the rigidified oxygen analogue, N-hydroxy-9H-xanthene-9-carboxamide (13), is slightly more selective for HDAC7 with an IC50 of 0.05 mu M. Substitution of 6 allows for the modulation of selectivity and potency amongst the class IIa HDAC isotypes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.010
• 作为产物：
  描述：

  苯乙醛,3-氟-a-(3-氟苯基)- 在 Jones reagent 作用下， 以 丙酮 为溶剂， 生成 2,2-Bis(3-fluorophenyl)acetic acid
  参考文献：
  名称：

  Diphenylmethylene hydroxamic acids as selective class IIa histone deacetylase inhibitors

  摘要：

  We have identified a series of diphenylmethylene hydroxamic acids as novel and selective HDAC class IIa inhibitors. The original hit, N-hydroxy-2,2-diphenylacetamide (6), has sub-micromolar class IIa HDAC inhibitory activity, while the rigidified oxygen analogue, N-hydroxy-9H-xanthene-9-carboxamide (13), is slightly more selective for HDAC7 with an IC50 of 0.05 mu M. Substitution of 6 allows for the modulation of selectivity and potency amongst the class IIa HDAC isotypes. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.010