2-(N,N-dimethylamino)ethyl 2-(4-isobutylphenyl)propionate | 64622-40-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 2-(N,N-dimethylamino)ethyl 2-(4-isobutylphenyl)propionate
• 英文别名: 2-(dimethylamino)ethyl (RS)-2-(4-isobutylphenyl)propionate；2-(p-Isobutylphenyl)propionic acid dimethylaminoethyl ester；2-(dimethylamino)ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
• CAS: 64622-40-8
• 化学式: C₁₇H₂₇NO₂
• 分子量: 277.407
• InChiKey: HAGCHPJVDKMVBI-UHFFFAOYSA-N

物化性质

• 沸点：
  198-202 °C(Press: 12 Torr)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(N,N-dimethylamino)ethyl 2-(4-isobutylphenyl)propionate 、 七(6-溴-6-脱氧)-beta-环糊精 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以76%的产率得到
  参考文献：
  名称：

  The β-cyclodextrin cationic derivatives containing residues of some pharmacologically important acids

  摘要：

  The cationic derivatives of beta-cyclodextrin containing residues of covalently bound pharmacologically important acids were obtained by alkylation of nucleophilic reagents with 6-halo-6-deoxy-beta-cyclodextrin.

  DOI：

  10.1134/s1070363210090161
• 作为产物：
  描述：

  布洛芬 在 氯化亚砜 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.0h， 生成 2-(N,N-dimethylamino)ethyl 2-(4-isobutylphenyl)propionate
  参考文献：
  名称：

  布洛芬和萘普生的酯和酰胺前药：合成，抗炎活性和胃肠道毒性。

  摘要：

  合成了布洛芬（1）和萘普生（16）的酯和酰胺前药，并评估其抗炎活性和胃肠道毒性。前药的化学结构在亲脂性和对水解的反应性方面有所不同。小鼠中乙酸诱导的扭体的抑制表明前药7、15、19和20表现出比母体化合物明显更好的活性（p小于0.01）。确定大鼠口服1和16以及前药5、18、21和22后在胃粘膜中形成的平均溃疡数。除甘氨酸酰胺21外，所有前药对胃粘膜的刺激​​性均显着低于1或16。

  DOI：

  10.1002/jps.2600810210

文献信息

• New 2-(P-isobutylphenyl)-propionic acid ester and process for the preparation thereof
  申请人：Sune Coma, Nuria

  公开号：EP0298890A3

  公开（公告）日：1989-10-18

  The new ester is N,N-dimethylaminoethanol 2-(p-­isobutylphenyl)-propionate.The process comprises reacting 2-(p-isobutylphenyl)-­propionic acid with thionyl chloride to provide the corres­ponding acid chloride, which is reacted with N,N-dimethyl­aminoethanol to give the new ester.

  新酯是N,N-二甲基氨基乙醇2-(对异丁基苯基)-丙酸酯。该过程包括将2-(对异丁基苯基)-丙酸与氯化亚硫酰反应，以提供相应的酸氯化物，然后将其与N,N-二甲基氨基乙醇反应，形成新酯。
• METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY
  申请人：YU Benjamin M.

  公开号：US20150250884A1

  公开（公告）日：2015-09-10

  One aspect of the invention relates to AI-helper compositions comprising an AI compound (e.g., melatonin, alpha-lipoic acid, vitamin E, vitamin D, glutathione, resveratrol, astaxanthin, beta carotene, vitamin A, vitamin C, vitamin B12, vitamin B6, folic acid, and taurine) and one or more helper esters. The AI-helper compositions disclosed herein can be used for effective transdermal delivery of the AI compound to a subject. Another aspect of the invention relates to applications and preparations of the AI-helper compositions.

  该发明的一个方面涉及AI助剂组合物，包括AI化合物（例如褪黑激素、α-硫辛酸、维生素E、维生素D、谷胱甘肽、白藜芦醇、虾青素、β-胡萝卜素、维生素A、维生素C、维生素B12、维生素B6、叶酸和牛磺酸）和一个或多个助剂酯。本文披露的AI助剂组合物可用于有效地经皮途径将AI化合物传递给受试者。该发明的另一个方面涉及AI助剂组合物的应用和制备。
• Cationic β-cyclodextrin derivatives containing 2-(4-isobutylphenyl)- and 2-(3-benzoylphenyl)propionic acid residues
  作者：D. A. Shipilov、M. A. Malenkovskaya、N. V. Kutyasheva、G. I. Kurochkina、A. A. Sergievich、M. K. Grachev

  DOI：10.1007/s11172-019-2497-0

  日期：2019.4

  Cationic β-cyclodextrin derivatives containing residues of pharmacologically important acids linked by spacers of different lengths were obtained by treatment of mono-6-iodo-6-deoxy- and mono-6-tosyl-β-cyclodextrin with nucleophilic agents with terminal mono- and dimethylamino groups.

  通过用具有末端单和末端的亲核试剂处理单-6-碘-6-脱氧-和单-6-甲苯磺酰基-β-环糊精，获得含有药理学上重要酸残基的阳离子β-环糊精衍生物，这些酸残基由不同长度的间隔物连接。二甲氨基。
• Pyridylalkyl esters of 2-(p-isobutylphenyl)acetic acid and propionic
  申请人：Hisamitsu Pharmaceutical Co. Inc.

  公开号：US04150137A1

  公开（公告）日：1979-04-17

  The present invention relates to phenylacetic acid ester derivatives of the following general formula: ##STR1## wherein, R is selected from the group consisting of lower alkyl (other than ethyl) and substituted lower alkyl, and R' may be a hydrogen or methyl. The compounds obtained by the present invention possess a high degree of analgetic ,antipyretic and anti-inflammatory activites and cause little side effects on the gastro-intestinal tracts, when administered orally and topically, and they may be useful as oral and topical analgetics, antipyretics and antiinflammatory agents.

  本发明涉及以下一般式的苯乙酸酯衍生物：##STR1## 其中，R选择自下列组成的群体中，所述群体由低碳基（不包括乙基）和取代低碳基组成，而R'可能是氢或甲基。本发明所得的化合物具有高度的镇痛、退热和抗炎活性，并在口服和局部应用时对胃肠道造成很少的副作用，它们可能有用作口服和局部镇痛剂、退热剂和抗炎药物。
• HIGH PENETRATION COMPOSITIONS AND USES THEREOF
  申请人：Yu Chongxi

  公开号：US20090238763A1

  公开（公告）日：2009-09-24

  The present invention relates to compositions and uses of novel high penetration compositions or high penetration prodrugs (HPP), in particular HPPs for non-steroidal anti-inflammatory agents (NSAIAs), which are capable of crossing biological barriers with high penetration efficiency. The HPPs herein are capable of being converted to parent active drugs or drug metabolites after crossing the biological barrier and thus can render treatments for the conditions that the parent drugs or metabolites can. Additionally, due to the ability of penetrating biological barriers, the HPPs herein are capable of reaching areas that parent drugs may not be able to access or to render a sufficient concentration at the target areas and therefore render novel treatments. The HPPs herein can be administered to a subject through various administration routes. For example, the HPPs can be locally delivered to an action site of a condition with a high concentration due to their ability of penetrating biological barriers and thus obviate the need for a systematic administration. For another example, the HPPs herein can be systematically administer to a biological subject and enter the general circulation with a faster rate.

  本发明涉及新型高渗透性组合物或高渗透性前药（HPP）的组成和用途，特别是用于非甾体抗炎药（NSAIAs）的HPP，其能够高效地穿过生物屏障。这里的HPP能够在穿过生物屏障后转化为父活性药物或药物代谢物，从而可以治疗与父药物或代谢物相关的疾病。此外，由于能够穿过生物屏障，这里的HPP能够到达父药物可能无法进入或无法在目标区域产生足够浓度的区域，从而提供新的治疗方法。这里的HPP可以通过各种给药途径给予受试者。例如，由于其穿透生物屏障的能力，HPP可以在局部给药到疾病作用部位并以高浓度存在，从而避免系统性给药的需要。另一个例子是，这里的HPP可以被系统性地给药到生物体内，并以更快的速率进入循环系统。