索卡因 | 41653-21-8

• 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: 索卡因
• 中文别名: 哌啶基乙酰胺苯甲酸乙酯
• 英文名称: Ethyl-p-piperidinoacetamido-benzoat
• 英文别名: Ethyl-p-(piperidinoacetylamino)-benzoat；p-(2-Piperidin-acetylamino)benzoesaeureaethylester；4-(2-piperidin-1-yl-acetylamino)-benzoic acid ethyl ester；Ethyl piperidinoacetylaminobenzoate；ethyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
• CAS: 41653-21-8
• 化学式: C₁₆H₂₂N₂O₃
• mdl: MFCD01661866
• 分子量: 290.362
• InChiKey: QLGIFPJNYPWBMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090

文献信息

• Drug evolution: drug design at hot spots
  申请人：Konishi Yasuo

  公开号：US20060110743A1

  公开（公告）日：2006-05-25

  A new method of designing and generating compounds having an increased probability of being drugs, drug candidates, or biologically active compounds, in particular having a therapeutic utility, is disclosed. The method consists of identifying a group of bioactive compounds, preferably of diverse therapeutic uses or biological activities and built on a common building block. In this group of compounds, side chains modifying the building block are identified and used to generate a second set of compounds according to the proposed methods of hybridization”, “single substitution” or “incorporation of frequently used side chains”. If the compounds in the second set built on the same building block contain an unusually large number of drugs, preferably with diverse therapeutic uses or biological activities, they constitute a “hot spot”. A focused combinatorial library of the “hot spot” is then generated, preferably by methods of combinatorial chemistry, and compounds of this library are screened for a variety of therapeutic uses or biological activities. The method generates drugs, drug candidates, or biologically active compounds with a high probability, without requiring any prior knowledge of biological targets.

  本文揭示了一种设计和生成化合物的新方法，这些化合物具有成为药物、药物候选物或生物活性化合物的概率增加，特别是具有治疗效用。该方法包括识别一组生物活性化合物，最好是具有不同治疗用途或生物活性，并建立在共同的基础上。在这组化合物中，识别修改基础结构的侧链，并使用“杂交”、“单一替换”或“纳入常用侧链”的建议方法生成第二组化合物。如果第二组化合物建立在相同的基础结构上，包含异常数量的药物，最好是具有不同治疗用途或生物活性，它们构成一个“热点”。然后通过组合化学的方法生成一个专注的组合式库，其中包括“热点”的化合物，并对该库中的化合物进行各种治疗用途或生物活性的筛选。该方法生成的药物、药物候选物或生物活性化合物具有高概率，无需任何先前的生物靶标知识。
• Salts of sulfodehydroabietic acid and treatment of gastro-intestinal diseases
  申请人：Tanabe Seiyaku Co., Ltd.

  公开号：EP0078152A1

  公开（公告）日：1983-05-04

  A pharmaceutically acceptable salt of sulfodehydroabietic acid of the formula: for use in the therapeutic treatment or prophylaxis of a gastro-intestinal disease and a salt of sulfodehydro-abietic acid of the formula: with lithium, potassium, magnesium, calcium, aluminium, aluminium hydroxide, an alkyl(C1-5)amine, di-alkyl(C1-5) amine, tri-alkyl(C1-5)amine, cycloalkyl(C3-6)amine, di-alkyl (C1-5)amino-alkyl(C1-5)amine, alkoxy(C1-5)-alkyl(C1-5)amine, hydroxy-alkyl(C1-5)amine, alkylene (C2-6)diamine, aralkyl (C7-8amine, alkyl(C1-6) N-piperidinoacetyl-p-aminobenzoate, alkyl(C1-5) N-prolyl-p-aminobenzoate, alkyl(C1-5) N-pipecolyl-p-amino-benzoate, morpholine, piperazine, 3-(3,4-dihydroxyphenyl)-8,8-dimethyl-1,8-diazoniaspiro[4.5]decane, 1-(2-dimethyl-aminoethyl)-4-phenyl-2-pyrrolidone, homocysteine thiolactone, an a-amino acid of the formula: wherein R' is amino, guanidino, carbamoyl, dimethylthionia, 4-imidazolyl, mercapto or methylthio, R2 is hydroxy, alkoxy(C1-5), amino, alkyl(C1-8)amino, di-alkyl(C1-5)amino, cycloalkyl-(C3-6)amino or p-alkoxy(C1-5) anilino, and A is straight alkylene (C2-5), an ω-amino acid of the formula: wherein R3 is hydroxy or alkoxy(C1-5) and B is straight alkylene(C1-5) (the alkylene being optionally substituted with phenyl), or carnosine.

  一种式硫代脱氢松香酸的药学上可接受的盐： 用于胃肠道疾病的治疗或预防的硫代脱氢松香酸和式..： 锂、钾、镁、钙、铝、氢氧化铝、烷基(C1-5)胺、二烷基(C1-5)胺、三烷基(C1-5)胺、环烷基(C3-6)胺、二烷基(C1-5)胺-烷基(C1-5)胺、烷氧基(C1-5)-烷基(C1-5)胺、羟基烷基(C1-5)胺、烷基（C2-6）二胺、芳基（C7-8）胺、N-哌啶乙酰基对氨基苯甲酸烷基（C1-6）、N-脯氨酰基对氨基苯甲酸烷基（C1-5）、N-哌啶基对氨基苯甲酸烷基（C1-5）、N-哌啶基对氨基苯甲酸烷基（C1-5）、吗啉、哌嗪、3-（3,4-二羟基苯基）-8,8-二甲基-1,8-二氮杂螺[4.5]癸烷、1-(2-二甲基-氨基乙基)-4-苯基-2-吡咯烷酮、同型半胱氨酸硫内酯、式中的 a-氨基酸： 其中 R'是氨基、胍基、氨基甲酰基、二甲硫氨基、4-咪唑基、巯基或甲硫基，R2 是羟基、烷氧基（C1-5）、氨基、烷基（C1-8）氨基、二烷基（C1-5）氨基、环烷基-（C3-6）氨基或对烷氧基（C1-5）苯胺基，A 是直亚烷基（C2-5），式中ω-氨基酸： 其中 R3 是羟基或烷氧基（C1-5），B 是直亚烷基（C1-5）（亚烷基可选择被苯基取代），或肌肽。
• AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND
  申请人：IHI Corporation

  公开号：EP2357166A1

  公开（公告）日：2011-08-17

  The present invention provides a drug using the magnetic properties of a metal salen complex as represented by the following general formula in order to magnetize the intended drug by chemically binding the drug to a metal salen complex so that the drug can be delivered to the target diseased site. The drug can be delivered to the diseased site using the magnetic properties of the drug per se without using a carrier made of a magnetic substance as in the conventional methods.

  本发明提供了一种利用由以下通式表示的金属沙仑络合物的磁性的药物，通过将药物与金属沙仑络合物化学结合，使预定药物磁化，从而将药物输送到目标患病部位。利用药物本身的磁性可将药物输送到患病部位，而无需像传统方法那样使用由磁性物质制成的载体。
• Metal-salen complex compound, local anesthetic and antineoplastic drug
  申请人：IHI Corporation

  公开号：US10034851B2

  公开（公告）日：2018-07-31

  A metal-salen complex compound, which exhibits excellent noninvasiveness and can be efficiently transferred to an affected site, a local anesthetic containing this metal-salen complex compound, and an antineoplastic drug containing this metal-salen complex compound are provided. Regarding the metal-salen complex compound, a metal atom part in each of two molecules of a metal-salen complex or a derivative of the metal-salen complex is dimerized via water, and the metal-salen complex compound is mixed with a base to produce an ointment.

  本发明提供了一种金属-莎伦络合物、一种含有该金属-莎伦络合物的局部麻醉剂和一种含有该金属-莎伦络合物的抗肿瘤药物，该金属-莎伦络合物具有极佳的非侵入性，可以有效地转移到患处。关于金属-盐氨酸络合物，金属-盐氨酸络合物或金属-盐氨酸络合物衍生物的两个分子中的每个分子中的一个金属原子部分通过水进行二聚，然后将金属-盐氨酸络合物与碱混合制成软膏。
• Fast dissolving pharmaceutical composition
  申请人：Ferring B.V.

  公开号：US10023335B2

  公开（公告）日：2018-07-17

  The subject invention is directed to a pharmaceutical composition comprising an open matrix network carrying a pharmaceutically active ingredient, wherein the open matrix network comprises levan.

  本发明涉及一种药物组合物，该组合物包含一种携带有药物活性成分的开放式基质网络，其中开放式基质网络包括利凡。