2-acetyl-5-methylsulfanyl-3-oxo-valeric acid ethyl ester | 99974-62-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 2-acetyl-5-methylsulfanyl-3-oxo-valeric acid ethyl ester
• 英文别名: 2-Acetyl-5-methylmercapto-3-oxo-valeriansaeure-aethylester；Ethyl 2-acetyl-5-methylsulfanyl-3-oxopentanoate
• CAS: 99974-62-6
• 化学式: C₁₀H₁₆O₄S
• 分子量: 232.301
• InChiKey: DZSAHTJJKHGBKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  85.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-acetyl-5-methylsulfanyl-3-oxo-valeric acid ethyl ester 、 sodium methylate 生成 5-methylsulfanyl-3-oxo-valeric acid methyl ester
  参考文献：
  名称：

  The Association Between Glutathione S-Transferase P1 Genotype and Plasma Level in Head and Neck Cancer

  摘要：

  AbstractObjectives/Hypothesis Glutathione S‐transferase P1‐1 (GSTP1‐1) is an important enzyme because it plays a major role in many detoxification reactions, including tobacco‐related metabolic products. GSTP1‐1 is the most abundant of all glutathione S‐transferase (GST) enzymes in normal human head and neck epithelium, whereas it is overexpressed in head and neck malignancies. At least three different GSTP1 genotypes exist, AA, AB, and BB, which have been correlated with reduced enzyme activity. Many authors have studied the GSTP1 genotypes in relation to the risk for human head and neck squamous cell carcinoma (HNSCC). A correlation between GSTP1‐1 genotype and GSTP1‐1 plasma levels has not been made before. We investigated the correlation between GSTP1 genotype and GSTP1‐1 plasma levels.Study Design To evaluate the possible association between the genetic polymorphisms in GSTP1 and the phenotypic expression (GSTP1‐1 plasma levels) in patients with HNSCC.Methods GSTP1 genotype and GSTP1‐1 plasma level were established in 87 patients with HNSCC and 51 patients with benign head and neck lesions who served as control subjects.Results For all GSTP1 genotypes (AA, AB, and BB) in patients with HNSCC, the mean plasma GSTP1‐1 values were significantly higher compared with the control subjects. There was no significant difference in the plasma GSTP1‐1 levels between the different genotypes in patients with HNSCC.Conclusion There is no association between GSTP1 genotype and GSTP1‐1 plasma levels in patients with head and neck cancer.

  DOI：

  10.1097/00005537-200203000-00011
• 作为产物：
  描述：

  3-甲硫基丙酰氯 、 乙酰乙酸乙酯钠 在 乙醚 作用下， 生成 2-acetyl-5-methylsulfanyl-3-oxo-valeric acid ethyl ester
  参考文献：
  名称：

  The Association Between Glutathione S-Transferase P1 Genotype and Plasma Level in Head and Neck Cancer

  摘要：

  AbstractObjectives/Hypothesis Glutathione S‐transferase P1‐1 (GSTP1‐1) is an important enzyme because it plays a major role in many detoxification reactions, including tobacco‐related metabolic products. GSTP1‐1 is the most abundant of all glutathione S‐transferase (GST) enzymes in normal human head and neck epithelium, whereas it is overexpressed in head and neck malignancies. At least three different GSTP1 genotypes exist, AA, AB, and BB, which have been correlated with reduced enzyme activity. Many authors have studied the GSTP1 genotypes in relation to the risk for human head and neck squamous cell carcinoma (HNSCC). A correlation between GSTP1‐1 genotype and GSTP1‐1 plasma levels has not been made before. We investigated the correlation between GSTP1 genotype and GSTP1‐1 plasma levels.Study Design To evaluate the possible association between the genetic polymorphisms in GSTP1 and the phenotypic expression (GSTP1‐1 plasma levels) in patients with HNSCC.Methods GSTP1 genotype and GSTP1‐1 plasma level were established in 87 patients with HNSCC and 51 patients with benign head and neck lesions who served as control subjects.Results For all GSTP1 genotypes (AA, AB, and BB) in patients with HNSCC, the mean plasma GSTP1‐1 values were significantly higher compared with the control subjects. There was no significant difference in the plasma GSTP1‐1 levels between the different genotypes in patients with HNSCC.Conclusion There is no association between GSTP1 genotype and GSTP1‐1 plasma levels in patients with head and neck cancer.

  DOI：

  10.1097/00005537-200203000-00011

文献信息

• Etherhaltige oder thioetherhaltige 1,3-Diketone und deren Verwendung als Stabilisatoren für chlorhaltige Polymerisate
  申请人：CIBA-GEIGY AG

  公开号：EP0307358B1

  公开（公告）日：1992-02-12
• US4992504A
  申请人：——

  公开号：US4992504A

  公开（公告）日：1991-02-12
• The Association Between Glutathione S-Transferase P1 Genotype and Plasma Level in Head and Neck Cancer
  作者：Willem P. A. Kelders、Michael B. Oude Ophuis、Hennie M. J. Roelofs、Wilbert H. M. Peters、Johannes J. Manni

  DOI：10.1097/00005537-200203000-00011

  日期：2002.3

  AbstractObjectives/Hypothesis Glutathione S‐transferase P1‐1 (GSTP1‐1) is an important enzyme because it plays a major role in many detoxification reactions, including tobacco‐related metabolic products. GSTP1‐1 is the most abundant of all glutathione S‐transferase (GST) enzymes in normal human head and neck epithelium, whereas it is overexpressed in head and neck malignancies. At least three different GSTP1 genotypes exist, AA, AB, and BB, which have been correlated with reduced enzyme activity. Many authors have studied the GSTP1 genotypes in relation to the risk for human head and neck squamous cell carcinoma (HNSCC). A correlation between GSTP1‐1 genotype and GSTP1‐1 plasma levels has not been made before. We investigated the correlation between GSTP1 genotype and GSTP1‐1 plasma levels.Study Design To evaluate the possible association between the genetic polymorphisms in GSTP1 and the phenotypic expression (GSTP1‐1 plasma levels) in patients with HNSCC.Methods GSTP1 genotype and GSTP1‐1 plasma level were established in 87 patients with HNSCC and 51 patients with benign head and neck lesions who served as control subjects.Results For all GSTP1 genotypes (AA, AB, and BB) in patients with HNSCC, the mean plasma GSTP1‐1 values were significantly higher compared with the control subjects. There was no significant difference in the plasma GSTP1‐1 levels between the different genotypes in patients with HNSCC.Conclusion There is no association between GSTP1 genotype and GSTP1‐1 plasma levels in patients with head and neck cancer.