2-bromo-4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-butyric acid ethyl ester | 856075-89-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-butyric acid ethyl ester
• 英文别名: α-Brom-β-(4-methoxy-2.5-dimethyl-benzoyl)-propionsaeure-aethylester；2-Brom-4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-buttersaeure-aethylester
• CAS: 856075-89-3
• 化学式: C₁₅H₁₉BrO₄
• 分子量: 343.217
• InChiKey: WJOOTGSRJVLMTL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.21
• 重原子数：
  20.0
• 可旋转键数：
  6.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  2-bromo-4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-butyric acid ethyl ester 、 sodium diethylmalonate 在 苯 作用下， 生成 4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-butane-1,1,2-tricarboxylic acid
  参考文献：
  名称：

  A patient with type I CD36 deficiency whose myocardium accumulated123I-BMIPP after 4 years

  摘要：

  A 73-year-old man with aortic regurgitation was examined by I-123-alpha -methyl-p-iodophenylpentadecanoic acid (BMIPP) myocardial single photon emission computed tomography (SPECT) in 1995. Myocardial accumulation was not evident on either the early or the delayed image obtained 15 minutes and 3 hours, respectively, after injecting I-123-BMIPP. Flow cytometric analysis of CD36 expression in monocytes and platelets identified a type I CD36 deficiency. The patient was hospitalized for severe heart failure in 1999. Upon admission, the cardiothoracic ratio on chest Xrays was 73%, and the left ventricular end-diastolic diameter on echocardiograms was enlarged to 77 mm. On the second day, we performed I-123-BMIPP myocardial SPECT. Myocardial accumulation was evident in the delayed, but not in the early image. We repeated I-123-BMIPP myocardial SPECT on the 10th day after admission. Myocardial accumulation was evident on both early and delayed images. Tc-99m-tetrofosmin myocardial SPECT was immediately performed after I-123-BMIPP myocardial SPECT to distinguish myocardial from pooling images in the left ventricle, but, because the images from both 99mTc-tetrofosmin and I-123-BMIPP myocardial SPECT were idential, we considered that the 123I-BMIPP myocardial SPECT images reflected the actual myocardial condition.The CD36 molecule transports long-chain fatty acid (LCFA) on the myocardial membrane, but I-123-BMIPP scintigraphy does not show any myocardial accumulation in patients with type I CD36 deficiency, indicating that myocardial LCFA uptake occurs through CD36 on the human myocardial membrane. Even though our patient had type I CD36 deficiency, BMIPP was uptaken by the myocardium during heart failure, suggesting a variant pathway on the human myocardial membrane for LCFA uptake.

  DOI：

  10.1007/bf02987845
• 作为产物：
  描述：

  2,5-二甲基苯甲醚 在 三氯化铝 、 乙醇 、 氢溴酸 、 Petroleum ether 作用下， 生成 2-bromo-4-(4-methoxy-2,5-dimethyl-phenyl)-4-oxo-butyric acid ethyl ester
  参考文献：
  名称：

  Clemo; Haworth; Walton, Journal of the Chemical Society, 1929, p. 2383

  摘要：

  DOI：