(1-ethoxycarbonyl-3-methyl-2-oxo-cyclohexyl)-acetic acid ethyl ester | 100874-26-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: (1-ethoxycarbonyl-3-methyl-2-oxo-cyclohexyl)-acetic acid ethyl ester
• 英文别名: (1-Aethoxycarbonyl-3-methyl-2-oxo-cyclohexyl)-essigsaeure-aethylester；1-Aethoxycarbonylmethyl-3-methyl-2-oxo-cyclohexancarbonsaeure-aethylester
• CAS: 100874-26-8
• 化学式: C₁₄H₂₂O₅
• 分子量: 270.326
• InChiKey: DJYNNLKRCRKRSE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.88
• 重原子数：
  19.0
• 可旋转键数：
  5.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  (1-ethoxycarbonyl-3-methyl-2-oxo-cyclohexyl)-acetic acid ethyl ester 在 盐酸 作用下， 生成 3-methyl-2-cyclohexaneacetic acid
  参考文献：
  名称：

  Monoclonal anti-EGFreceptor antibody (ior-R3) pharmacokinetic study in tumor bearing nude mice: Role of the receptor-mediated endocytosis on drug clearance

  摘要：

  With the purpose of describing the MAb ior-R3's kinetic behavior in disease state, this paper is focused on the study of this response using a human cancer (lung carcinoma cell line, H 125) bearing nude mice animal model. This MAb was administered by a single 16 mg/Kg intravenous bolus dose and the blood samples were collected at several times ranging from 0 to 72 hours for serum drug quantification. The experimental data set was best fitted using a classical two- compartment mammilary pharmacokinetic (PK) model and the corresponding PK parameters were determined. Comparativel, the analysis of the more relevant physiologically-based PK parameters showed a significant enhancing of clearance as compound with the earlier reported study on healthy mice, increasing from 0.09 to 0.19 mL/h (p<0.01). However, the corresponding distribution volumes don't seem to be altered by the tumor xenograft. We conclude that all of these evidences suggest a possible mechanism of receptor- mediated endocytosis (RME) as a major cause of this increased drug clearance which also contributed to the faster decrease of the drug disposition.

  DOI：

  10.1007/bf03190423
• 作为产物：
  描述：

  3-methyl-2-oxo-cyclohexanecarboxylic acid ethyl ester 在 sodium t-butanolate 、 叔丁醇 作用下， 生成 (1-ethoxycarbonyl-3-methyl-2-oxo-cyclohexyl)-acetic acid ethyl ester
  参考文献：
  名称：

  Singh et al., Journal Of Scientific and Industrial Research, 1958, vol. 17 B, p. 423,429

  摘要：

  DOI：