1-(ethoxycarbonyl)-2-isobutylcyclopropanecarboxylic acid | 1246536-33-3

• 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: 1-(ethoxycarbonyl)-2-isobutylcyclopropanecarboxylic acid
• 英文别名: 1-Ethoxycarbonyl-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
• CAS: 1246536-33-3
• 化学式: C₁₁H₁₈O₄
• 分子量: 214.262
• InChiKey: YVCBBPYETOAYAJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(ethoxycarbonyl)-2-isobutylcyclopropanecarboxylic acid 、 氯甲酸乙酯 在 N-甲基吗啉 作用下， 以 四氢呋喃 为溶剂， 反应 0.33h， 生成
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of new 6-methyl-1-substituted-4,6-diazaspiro[2.4]heptane-5,7-diones

  摘要：

  In the present study on the development of new anticonvulsants, twenty new 6-methyl-1-substituted-4,6-diazaspiro[2.4]heptane-5,7-diones were synthesized and tested for anticonvulsant activity using the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) screens. Their neurotoxicity was determined by the rotorod test. In this series, all of the alkyl- and aryl-substituted 5,5-cyclo-propanespirohydantoins showed more or less protection against MES and/or scPTZ models. The most active of the series was 6-methyl-1-(4-(methylsulfonyl)phenyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (6t), which showed a MES ED50 value of 12.5 mg/kg in mice. The median toxic dose (TD50) was 310 mg/kg, providing compound 6t with a protection index (PI = TD50/ED50) of 24.8 in the MES test which is better than phenytoin. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.05.034
• 作为产物：
  描述：

  diethyl 2-isobutylcyclopropane-1,1-dicarboxylate 在 水 、 sodium hydroxide 、 potassium hydrogensulfate 作用下， 以 乙醇 、 水 为溶剂， 反应 12.0h， 以82%的产率得到1-(ethoxycarbonyl)-2-isobutylcyclopropanecarboxylic acid
  参考文献：
  名称：

  Synthesis and anticonvulsant activity of new 6-methyl-1-substituted-4,6-diazaspiro[2.4]heptane-5,7-diones

  摘要：

  In the present study on the development of new anticonvulsants, twenty new 6-methyl-1-substituted-4,6-diazaspiro[2.4]heptane-5,7-diones were synthesized and tested for anticonvulsant activity using the maximal electroshock (MES) and subcutaneous pentylenetetrazole (scPTZ) screens. Their neurotoxicity was determined by the rotorod test. In this series, all of the alkyl- and aryl-substituted 5,5-cyclo-propanespirohydantoins showed more or less protection against MES and/or scPTZ models. The most active of the series was 6-methyl-1-(4-(methylsulfonyl)phenyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (6t), which showed a MES ED50 value of 12.5 mg/kg in mice. The median toxic dose (TD50) was 310 mg/kg, providing compound 6t with a protection index (PI = TD50/ED50) of 24.8 in the MES test which is better than phenytoin. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.05.034

文献信息

• [EN] RENIN INHIBITING COMPOUNDS
  申请人：ABBOTT LABORATORIES

  公开号：WO1992000972A1

  公开（公告）日：1992-01-23

  (EN) The present invention relates to compounds of formula (a), which are useful for inhibiting renin and for treating hypertension or congestive heart failure, alone or in combination with another antihypertensive agent. The present invention also relates to compositions and a method for treating glaucoma, vascular disease, renal failure or psoriasis with such compounds and a method of inhibiting retroviral proteases and treating a retroviral infection with such compound.(FR) Composés de la formule (a), utiles pour inhiber la rénine et dan s le traitement de l'hypertension ou de l'insuffisance cardiaque congestive, seuls ou combinés avec un autre agent antihypertensifs. L'invention concerne également des compositions ainsi qu'un procédé de traitement du glaucome, de troubles vasculaires, d'insuffisance rénale ou du psoriasis à l'aide desdits composés, et un procédé d'inhibition de protéases rétrovirales et de traitement d'une infection rétrovirale à l'aide desdits composés.