4-Phenyl-cyclopentane-1,3-dione | 105891-40-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Phenyl-cyclopentane-1,3-dione
• 英文别名: 4-Phenylcyclopentane-1,3-dione
• CAS: 105891-40-5
• 化学式: C₁₁H₁₀O₂
• 分子量: 174.199
• InChiKey: IHVBWKIOBTYXGX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  环丁酮,2-(溴甲基)-2-羟基-3-苯基- 在 silver nitrate 作用下， 以 溶剂黄146 为溶剂， 生成 4-Phenyl-cyclopentane-1,3-dione
  参考文献：
  名称：

  A new route to cyclopentane-1,3-diones

  摘要：

  DOI：

  10.1016/s0040-4039(00)84477-9

文献信息

• HAMER, N. K., TETRAHEDRON LETT., 1986, 27, N 19, 2167-2168
  作者：HAMER, N. K.

  DOI：——

  日期：——
• Targeted Covalent Probes and Inhibitors of Proteins Containing Redox-Sensitive Cysteines
  申请人：THE SCRIPPS RESEARCH INSTITUTE

  公开号：US20160195532A1

  公开（公告）日：2016-07-07

  Covalent, irreversible small-molecule inhibitors that modify the sulfenyl form (i.e., sulfenic acid, RSOH and sulfenamide, RSNR′2) of therapeutically important proteins (particularly kinases and phosphatases) are disclosed, where the compositions include a compound having a substituted aryl or heterocyclic core structure that promotes binding interactions with a specific protein, and a nucleophilic reaction center (carbon, nitrogen, sulfur, or phosphorous) that is capable of forming a covalent bond with a sulfenic acid- or sulfenamide-modified cysteine residue in the protein. Methods for synthesizing these compounds are also disclosed, as well as methods of using them for determining the bioactivity of a chemical composition comprising an active compound toward a specific protein and for determining the potency of an inhibitor against a specific protein.
• US9977024B2
  申请人：——

  公开号：US9977024B2

  公开（公告）日：2018-05-22