2-二乙基氨基乙基 2-羟基苯甲酸酯 | 23573-66-2

• 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: 2-二乙基氨基乙基 2-羟基苯甲酸酯
• 中文别名: 的太洛沙；2-二乙基氨基乙基2-羟基苯甲酸酯
• 英文名称: salicylic acid-(2-diethylamino-ethyl ester)
• 英文别名: Salicylsaeure-(2-diaethylamino-aethylester)；Salicylsaeure-(β-diaethylamino-aethyl)-ester；Diaethyl-(β-salicoyloxy-aethyl)-amin；Salicylsaeure-<2-diaethylamino-aethylester>；2-(Diaethylamino)-aethyl-salicylat；2-Diaethylamino-aethyl-salicylat；Detanosal；2-(diethylamino)ethyl 2-hydroxybenzoate
• CAS: 23573-66-2
• 化学式: C₁₃H₁₉NO₃
• 分子量: 237.299
• InChiKey: QXNKAUNWERFBBV-UHFFFAOYSA-N

物化性质

• 沸点：
  128 °C(Press: 0.05 Torr)
• 密度：
  1.100±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2922509090

反应信息

• 作为产物：
  描述：

  二乙氨基乙醇 、 水杨酸 生成 2-二乙基氨基乙基 2-羟基苯甲酸酯
  参考文献：
  名称：

  DE188571

  摘要：

  公开号：

文献信息

• Diagnostic/therapeutic agents
  申请人：Klaveness Jo

  公开号：US20050002865A1

  公开（公告）日：2005-01-06

  Targetable diagnostic and/or therapeutically active agents, e.g. ultrasound contrast agents, comprising a suspension in an aqueous carrier liquid of a reporter comprising gas-containing or gas-generating material, said agent being capable of forming at least two types of binding pairs with a target.

  可定位的诊断和/或治疗活性剂，例如超声对比剂，包括悬浮在水载体液中的报告物，该报告物包含含气体或生成气体的材料，该剂能够与目标形成至少两种结合对。
• 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。
• O-Aminoalkylsalicylates, process for their preparation, and their pharmaceutical compositions
  申请人：INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE

  公开号：EP0031632A1

  公开（公告）日：1981-07-08

  Compounds of the formula or pharmaceutically acceptable acid addition salts thereof (for example, a chloride) are useful as local anesthetics. In the compound of the formula (I), R is hydrogen or C1-C14 alkyl, ALK is C1-C4 alkylene, R1 and R2 may be the same or different and are hydrogen or C1-C6 alkyl or R, and R2 taken together form a 5 to 7 atom ring which contains 1 to 2 nitrogen atoms.

  式中的化合物 或其药学上可接受的酸加成盐（例如氯化物）可用作局部麻醉剂。在式 (I) 的化合物中，R 是氢或 C1-C14 烷基，ALK 是 C1-C4 亚烷基，R1 和 R2 可以相同或不同，并且是氢或 C1-C6 烷基，或者 R 和 R2 共同形成一个含有 1 到 2 个氮原子的 5 到 7 个原子的环。
• 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。
• LIGAND REGULATED PROTEIN-PROTEIN INTERACTION SYSTEM
  申请人：St. Anna Kinderkrebsforschung

  公开号：EP3502130A1

  公开（公告）日：2019-06-26

  Disclosed is a ligand regulated protein-protein interaction system based on a lipocalin-fold molecule comprising: (a) a lipocalin-fold molecule (b) a lipocalin-fold ligand with a low molecular weight of 1500 Da or below, and (c) a lipocalin-fold binding interaction partner, wherein the lipocalin-fold molecule can bind to the lipocalin-fold ligand; and wherein the lipocalin-fold molecule bound to the lipocalin-fold ligand binds to the lipocalin-fold binding interaction partner with an affinity which is at least 10-fold higher than the affinity of the lipocalin-fold molecule not bound to the lipocalin-fold ligand, and wherein the lipocalin-fold binding interaction partner is not a naturally occurring protein which has an affinity of <10 µM to any naturally occurring lipocalin-fold molecule in the presence of any lipocalin-fold ligand.

  所公开的是一种基于脂钙蛋白折叠分子的配体调节蛋白质-蛋白质相互作用系统，该系统包括 (a) 脂钙蛋白折叠分子 (b) 低分子量为 1500 Da 或以下的脂钙蛋白-折叠配体，以及 (c) 脂钙蛋白-折叠结合相互作用伙伴、 其中脂钙素折叠分子可与脂钙素折叠配体结合；以及 其中与脂钙蛋白配体结合的脂钙蛋白-折叠分子与脂钙蛋白-折叠结合相互作用伙伴结合的亲和力比未与脂钙蛋白-折叠配体结合的脂钙蛋白-折叠分子的亲和力至少高 10 倍、 其中脂钙蛋白-折叠结合相互作用伙伴不是天然存在的蛋白质，它在任何脂钙蛋白-折叠配体存在下对任何天然存在的脂钙蛋白-折叠分子的亲和力小于10 µM。