(5-methyl-2-oxo-cyclohexyl)-acetic acid ethyl ester | 39716-35-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (5-methyl-2-oxo-cyclohexyl)-acetic acid ethyl ester
• 英文别名: (5-Methyl-2-oxo-cyclohexyl)-essigsaeure-aethylester；4-methylcyclohexanone-2-acetic acid ethyl ester；Ethyl 2-(5-methyl-2-oxocyclohexyl)acetate
• CAS: 39716-35-3
• 化学式: C₁₁H₁₈O₃
• 分子量: 198.262
• InChiKey: CCYJWGKGTJILHN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (5-methyl-2-oxo-cyclohexyl)-acetic acid ethyl ester 在 乙醚 、 sulfur 作用下， 生成 (4-methyl-biphenyl-2-yl)-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：

  4-Methylcyclohexan-1-on-2-essigsaeure 在 盐酸 、 乙醇 作用下， 生成 (5-methyl-2-oxo-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

文献信息

• 3-Hydrazino-cycloalkyl[c]pyridazines
  申请人：Sandoz Ltd.

  公开号：US03954754A1

  公开（公告）日：1976-05-04

  This invention provides aminopyridazine derivatives of formula I, ##SPC1## wherein R.sub.1 is amino, or an ##EQU1## group, wherein each of R.sub.3 and R.sub.4 is alkyl of 1 to 4 carbon atoms, or R.sub.3 and R.sub.4 together with the carbon atom to which they are bound, form a cycloalkylidene radical of 5 to 12 carbon atoms, R.sub.2 is hydrogen or methyl, A is a --(CH.sub.2).sub.n -- group, Wherein n is 0 or an integer from 1 to 7, or an >N--CO--R.sub.5 group, Wherein R.sub.5 is alkyl or alkenyl of 1 to 16 carbon atoms, cycloalkyl of 3 to 8 carbon atoms, 1-adamantyl, or a --(CH.sub.2).sub.m --R.sub.6 group, Wherein m is 0 or an integer from 1 to 4, and R.sub.6 is phenyl; phenyl monosubstituted by fluorine, chlorine, bromine, alkyl or alkoxy of 1 to 4 carbon atoms, alkylmercapto of 1 to 4 carbon atoms, or phenyl; phenyl substituted by two or three substituents of the group chlorine, alkyl or alkoxy of 1 to 4 carbon atoms; diphenylmethyl, the phenyl rings of which may be monosubstituted by fluorine, chlorine, bromine, alkyl or alkoxy of 1 to 4 carbon atoms; or naphthyl, Or an --OR.sub.7 group, Wherein R.sub.7 is alkyl or alkenyl of 1 to 4 carbon atoms, or phenyl, phenylalkyl or phenylalkenyl which may be monosubstituted on the phenyl ring by chlorine, alkyl or alkoxy of 1 to 4 carbon atoms, and in which the alkylene or alkenylene chain is of 1 to 4 carbon atoms, And R.sub.8 and R.sub.9 are each hydrogen or alkyl of 1 to 4 carbon atoms, And acid addition salts thereof. The invention also provides processes for the production of said compounds. Said compounds and pharmaceutically acceptable acid addition salts thereof are useful as antihypertensive agents.

  这项发明提供了式I的氨基吡啶衍生物，其中R.sub.1是氨基，或者是一个##EQU1##基团，其中R.sub.3和R.sub.4中的每一个是1至4个碳原子的烷基，或者R.sub.3和R.sub.4与它们结合的碳原子一起形成5至12个碳原子的环烷基亚甲基基团，R.sub.2是氢或甲基，A是一个--(CH.sub.2).sub.n--基团，其中n为0或1至7的整数，或者是一个>N--CO--R.sub.5基团，其中R.sub.5是1至16个碳原子的烷基或烯基，3至8个碳原子的环烷基，1-金刚烷基，或者是一个--(CH.sub.2).sub.m--R.sub.6基团，其中m为0或1至4的整数，R.sub.6是苯基；苯基单取代为氟、氯、溴、1至4个碳原子的烷基或烷氧基、1至4个碳原子的烷硫基，或苯基；苯基取代为两个或三个氯、1至4个碳原子的烷基或烷氧基的取代基；二苯甲基，其苯环可以单取代为氟、氯、溴、1至4个碳原子的烷基或烷氧基；或萘基，或者是一个--OR.sub.7基团，其中R.sub.7是1至4个碳原子的烷基或烯基，或苯基、苯基烷基或苯基烯基，它们可以在苯环上被氯、1至4个碳原子的烷基或烷氧基单取代，且烷基或烯基链为1至4个碳原子，R.sub.8和R.sub.9分别是氢或1至4个碳原子的烷基，以及它们的酸盐。该发明还提供了制备所述化合物的方法。所述化合物及其药学上可接受的酸盐作为降压药物。
• Sen Gupta; Bhattacharyya, Journal of the Indian Chemical Society, 1954, vol. 31, p. 337,344
  作者：Sen Gupta、Bhattacharyya

  DOI：——

  日期：——
• US3954754A
  申请人：——

  公开号：US3954754A

  公开（公告）日：1976-05-04
• US4478837A
  申请人：——

  公开号：US4478837A

  公开（公告）日：1984-10-23
• Monoclonal anti-EGFreceptor antibody (ior-R3) pharmacokinetic study in tumor bearing nude mice: Role of the receptor-mediated endocytosis on drug clearance
  作者：J. Duconge、E. Fernández-Sánchez、A. Macías、R. Castillo、I. Garcia、I. Beausoleil、J. F. Amador、J. Matheu

  DOI：10.1007/bf03190423

  日期：2002.6

  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.