二乙基氨基乙基乙酰基水杨酸酯 | 7194-12-9

• 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: 二乙基氨基乙基乙酰基水杨酸酯
• 英文名称: 2-acetoxy-benzoic acid-(2-diethylamino-ethyl ester)
• 英文别名: 2-Acetoxy-benzoesaeure-(2-diaethylamino-aethylester)；2-Acetoxy-benzoesaeure-<2-diaethylamino-aethylester>；Acetylsalicylsaeure-diaethylaminoaethyl-ester；Diethylaminoethylacetylsalicylat；Edan；2-(Diethylamino)ethyl 2-(acetyloxy)benzoate；2-(diethylamino)ethyl 2-acetyloxybenzoate
• CAS: 7194-12-9
• 化学式: C₁₅H₂₁NO₄
• 分子量: 279.336
• InChiKey: GHIVDTCFLFLOBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二乙基氨基乙基乙酰基水杨酸酯 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  苯甲酸酯的衍生物

  摘要：

  苯甲酸酯的衍生物。提供了选自下述结构的化合物，所述化合物可用于对2‑(二乙氨基)乙基2‑乙酰氧基苯甲酸酯盐酸盐产品进行质控，也可用于消炎。

  公开号：

  CN115448905A
• 作为产物：
  描述：

  二乙氨基乙醇 、 邻乙酰水杨酰氯 生成 二乙基氨基乙基乙酰基水杨酸酯
  参考文献：
  名称：

  Reactions in the Salicylic Acid Series. A New Rearrangement of Acylsalicylic Acid Derivatives

  摘要：

  DOI：

  10.1021/ja01517a050

文献信息

• [EN] NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES<br/>[FR] NOUVEAUX MÉDICAMENTS À PÉNÉTRATION ÉLEVÉE ET LEURS COMPOSITIONS POUR LE TRAITEMENT DE MALADIES DE PARKINSON
  申请人：TECHFIELDS PHARMA CO LTD

  公开号：WO2014139161A1

  公开（公告）日：2014-09-18

  One aspect of the invention provides a composition of novel high penetration compositions (HPC) or a high penetration prodrug (HPP) for treatment of Parkinson's disease. The HPCs/HPPs 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, the HPPs 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 HPCs/HPPs can be administered to a subject through various administration routes, e.g., locally delivered to an action site of a condition with a high concentration or systematically administered to a biological subject and enter the general circulation with a faster rate.

  本发明的方面之一提供了用于治疗帕金森病的新型高渗透组合物（HPC）或高渗透前药（HPP）。HPCs/HPPs能够穿过生物屏障后转化为母药活性药物或药物代谢物，因此能够对母药或代谢物能够治疗的疾病进行治疗。此外，HPPs能够到达母药可能无法进入的区域或在目标区域达到足够的浓度，从而实现新的治疗方法。HPCs/HPPs可以通过各种给药途径给药给受试者，例如，局部施用于具有高浓度的疾病作用部位，或者系统性地给药给生物受试者，并以更快的速率进入全身循环。
• ACETYLSALICYLIC ACID DERIVATIVE CRYSTAL, ITS PREPARATION METHOD AND USE
  申请人：Zhejiang Yuejia Pharmaceuticals Co., Ltd

  公开号：US20180305296A1

  公开（公告）日：2018-10-25

  Disclosed are an acetylsalicylic acid derivative, i.e. a 2-(diethylamino)ethyl 2-acetoxy-benzoate hydrochloride crystal, and a preparation method and use thereof. The X-ray powder diffraction (XRPD) pattern of the crystal has characteristic peaks at the following 2θ angle: 11.0°±0.2°, 20.6°±0.2°, 25.1°±0.2°, 8.2°±0.2°, 16.5°±0.2°, 13.4°±0.2°, 25.4°±0.2°.

  公开了一种乙酰水杨酸衍生物，即2-(二乙氨基)乙基2-乙酰氧基苯甲酸盐酸盐晶体，及其制备方法和用途。该晶体的X射线粉末衍射(XRPD)图样在以下2θ角度具有特征峰：11.0°±0.2°, 20.6°±0.2°, 25.1°±0.2°, 8.2°±0.2°, 16.5°±0.2°, 13.4°±0.2°, 25.4°±0.2°。
• 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。
• NOVEL HIGH PENETRATION DRUGS AND THEIR COMPOSITIONS THEREOF FOR TREATMENT OF PARKINSON DISEASES
  申请人：SUZHOU TECHFIELDS MEDICAL LTD.

  公开号：US20160002157A1

  公开（公告）日：2016-01-07

  One aspect of the invention provides a composition of novel high penetration compositions (HPC) or a high penetration prodrug (HPP) for treatment of Parkinson's disease. The HPCs/HPPs 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, the HPPs 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 HPCs/HPPs can be administered to a subject through various administration routes, e.g., locally delivered to an action site of a condition with a high concentration or systematically administered to a biological subject and enter the general circulation with a faster rate.

  发明的一个方面提供了一种用于治疗帕金森病的新型高穿透力组合物（HPC）或高穿透力前药（HPP）。 HPC / HPP能够在穿过生物屏障后转化为活性药物或药物代谢物，从而可以治疗父药物或代谢物可以治疗的疾病。此外，HPP能够到达父药物可能无法访问或在目标区域提供足够浓度的区域，从而提供新的治疗方法。 HPC / HPP可以通过各种给药途径给予受试者，例如局部给药到具有高浓度的病变部位或系统给药到生物学受体并以更快的速度进入全身循环。
• 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。