2-(3-Chloro-4-methylphenyl)-5-[3-methyl-4-(4-methylphenyl)-4-oxobutanoyl]isoindole-1,3-dione

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 2-(3-Chloro-4-methylphenyl)-5-[3-methyl-4-(4-methylphenyl)-4-oxobutanoyl]isoindole-1,3-dione
• 英文别名: 2-(3-chloro-4-methylphenyl)-5-[3-methyl-4-(4-methylphenyl)-4-oxobutanoyl]isoindole-1,3-dione
• 化学式: C₂₇H₂₂ClNO₄
• 分子量: 459.9
• InChiKey: XPEKMRMJBXIMHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  71.5
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• MOLECULES INHIBITING A METABOLIC PATHWAY INVOLVING THE SYK PROTEIN TYROSINE KINASE AND METHOD FOR IDENTIFYING SAID MOLECULES
  申请人：Dariavach Piona

  公开号：US20140179679A1

  公开（公告）日：2014-06-26

  The present invention relates to the C-13 molecule (methyl 2-5-[(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-furyl}-benzoate) and to organic molecules functionally equivalent to the C-13 molecule, capable of inhibiting the binding of an antibody or antibody fragment with the human Syk protein tyrosine kinase, to the use of these molecules for the production of medicaments for the prevention or treatment of diseases dependent on metabolic pathways involving Syk, and also to a method for identifying such molecules.