4-Methyl-cyclohexan-2-on-1-essigsaeure | 22532-24-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Methyl-cyclohexan-2-on-1-essigsaeure
• 英文别名: 2-(4-Methyl-2-oxocyclohexyl)acetic acid
• CAS: 22532-24-7
• 化学式: C₉H₁₄O₃
• 分子量: 170.208
• InChiKey: ZZWOGFYIADIOKY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-Methyl-cyclohexan-2-on-1-essigsaeure 在 盐酸 、 乙醚 作用下， 生成 (2-hydroxy-4-methyl-2-phenyl-cyclohexyl)-acetic acid ethyl ester
  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：

  alkaline earth salt of/the/ methylsulfuric acid 在 permanganate(VII) ion 作用下， 生成 4-Methyl-cyclohexan-2-on-1-essigsaeure
  参考文献：
  名称：

  Koetz; Hoffmann, Journal fur praktische Chemie (Leipzig 1954), 1925, vol. <2> 110, p. 115

  摘要：

  DOI：

文献信息

• The friedel-crafts condensation of the lactone of 4-methyl-2-hydroxycyclohexane acetic acid with aromatic hydrocarbons-I
  作者：D.N. Chatterjee、S.P. Bhattacharjee

  DOI：10.1016/s0040-4020(01)98145-1

  日期：1971.1

  The cationic nuclear alkylation of benzene with the lactone (I) has been found to give a stereoisomeric mixture containing 4-methyl-2-phenylcyclohexyl acetic acid (II) and 4-methyl-3-phenylcyclohexyl acetic acid (III). The former has been cyclized, reduced and dehydrogenated to 3-methyl phenanthrene. A similar condensation between the lactone (I) and toluene afforded a mixture of 4-methyl-2-o-tolyl-

  已发现苯与内酯（I）的阳离子核烷基化得到含有4-甲基-2-苯基环己基乙酸（II）和4-甲基-3-苯基环己基乙酸（III）的立体异构混合物。前者已被环化，还原并脱氢为3-甲基菲。内酯（I）和甲苯之间的相似的缩合得到的4-甲基-2-混合物ø甲苯基- ，4-甲基-2- p甲苯基-和4-甲基-3- p -甲苯基-环己基乙酸。前两种酸的结构通过环化成酮氢菲（VIII）和（IX）以及随后分别转化成3,5-二甲基-菲和2,6-二甲基菲而得到确认。讨论了异常的Friedel-Crafts反应的可能机制。
• Koetz, Justus Liebigs Annalen der Chemie, 1906, vol. 350, p. 241
  作者：Koetz

  DOI：——

  日期：——