二甲基氨基乙基乙酰基水杨酸酯 | 52461-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 二甲基氨基乙基乙酰基水杨酸酯
• 中文别名: 6-氟-1H-苯并咪唑-2-甲醛
• 英文名称: Acetylslicylsaeure-N,N-dimethylaminoethylester
• 英文别名: Dimethylaminoethyl acetylsalicylate；2-(dimethylamino)ethyl 2-acetyloxybenzoate
• CAS: 52461-48-0
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: SWNNLZURDOQIQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2922509090

文献信息

• 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。
• Positively charged water-soluble prodrugs of aspirin
  申请人：Techfields Biochem Co. Ltd

  公开号：EP2610242A1

  公开（公告）日：2013-07-03

  The novel positively charged prodrugs of acetylsalicylic acid and its analogues in the general formula(1) 'Structure 1' were designed and synthesized. The compounds of the general formula(1) 'Structure 1' indicated above can be prepared from functional derivatives of ASA or its analogues,(for example acid halides or mixed anhydrides), by reaction with suitable alcohols, thiols, or amines. The positively charged amino groups of these pro-drugs not only largely increases the solubility of the drugs, but also bonds to the negative charge on the phosphate head group of membranes and push the pro-drug into the cytosol. The experiment results suggest that the pro-drug, diethylaminoethyl acetylsalicylate. AcOH, diffuses through human skin -400 times faster than acetylsalicylic acid itself and ∼100 times faster than ethyl acetylsalicylate. In plasma, 80% of these pro-drugs can change back to the drug in a few minutes. The pro-drugs can be used medicinally in treating any aspirin-treatable conditions in humans or animals and be administered not only orally, but also transdermally for any kind of medical treatments and avoid most of the side effects of aspirin, most notably GI disturbances such as dyspepsia, gastroduodenal bleeding, gastric ulcerations, and gastritis. Controlled transdermal administration systems of the prodrug enables the aspirin to reach constantly optimal therapeutic blood levels to increase effectiveness and reduce the side effects of aspirin.

  设计并合成了带正电荷的新型乙酰水杨酸原药及其通式（1）"结构 1 "中的类似物。上述通式（1）"结构 1 "化合物可由 ASA 或其类似物的功能性衍生物（如酸卤化物或混合酸酐）与适当的醇、硫醇或胺反应制备而成。这些原药带正电荷的氨基不仅能大大增加药物的溶解度，还能与膜上磷酸头基的负电荷结合，将原药推入细胞质中。实验结果表明，原药乙酰水杨酸二乙氨基乙酯（Diethylaminoethyl acetylsalicylate.AcOH 在人体皮肤中的扩散速度比乙酰水杨酸本身快 400 倍，比乙酰水杨酸乙酯快 100 倍。在血浆中，80% 的原药可在几分钟内变回药物。这些原药可用于治疗人类或动物的任何阿司匹林可治疗的疾病，不仅可以口服，还可以透皮给药，用于任何类型的医疗，并可避免阿司匹林的大部分副作用，尤其是消化道紊乱，如消化不良、胃十二指肠出血、胃溃疡和胃炎。原药的可控透皮给药系统可使阿司匹林不断达到最佳治疗血药浓度，从而提高疗效并减少阿司匹林的副作用。
• REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT
  申请人：UNIVERSITY OF WOLLONGONG

  公开号：US20140221331A1

  公开（公告）日：2014-08-07

  The present invention relates generally to methods and compounds for regulating the release of nitric oxide in the vicinity of biofilm-forming microorganisms to regulate programmed cell death in the microorganisms and thereby promote dispersal of microorganism from biofilms and/or inhibit biofilm formation or development. More particularly, the invention relates to the use of compounds to provide spatial and temporal control over nitric oxide release.
• US20140256749A1
  申请人：——

  公开号：US20140256749A1

  公开（公告）日：2014-09-11
• METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS
  申请人：YU Benjamin M.

  公开号：US20160317435A1

  公开（公告）日：2016-11-03

  One aspect of the invention relates to caffeine-containing compositions comprising caffeine and one or more esters. The caffeine-containing compositions disclosed herein can be used for effective transdermal delivery of caffeine to a subject. Another aspect of the invention relates to applications and preparations of the caffeine-containing compositions.