9-aminoperalgonic acid methyl ester hydrochloride | 72808-57-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 9-aminoperalgonic acid methyl ester hydrochloride
• 英文别名: 9-aminopelargonic acid methyl ester hydrochloride；methyl 9-aminononainate hydrochloride；methyl 9-aminononanoate hydrochloride；8-methoxycarbonyloctylammonium chloride；Methyl 9-aminononanoate hydrochloride；methyl 9-aminononanoate;hydrochloride
• CAS: 72808-57-2
• 化学式: C₁₀H₂₁NO₂*ClH
• 分子量: 223.743
• InChiKey: LPFAJVWTUCBBRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.86
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-aminoperalgonic acid methyl ester hydrochloride 在 吡啶 、 sodium hydroxide 、 三乙胺 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 101.5h， 生成 3-{9-[((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-Acetoxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydro-picene-2-carbonyl)-amino]-nonanoylamino}-propionic acid methyl ester
  参考文献：
  名称：

  Petrenko; Petukhova; Shakirov, Russian Journal of Organic Chemistry, 2000, vol. 36, # 7, p. 982 - 995

  摘要：

  DOI：
• 作为产物：
  描述：

  癸二酸单甲酯 在 盐酸 、 二苯基膦叠氮化物 、 三乙胺 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 18.0h， 生成 9-aminoperalgonic acid methyl ester hydrochloride
  参考文献：
  名称：

  Synthesis and Evaluation of Compounds That Facilitate the Gastrointestinal Absorption of Heparin

  摘要：

  A family of novel compounds (delivery agents) that promote the gastrointestinal absorption of USP heparin in rats and primates has been discovered. The delivery agents in combination with heparin were administered either orally or intracolonically in an aqueous propylene glycol solution and caused dramatic increases in both plasma heparin concentrations (anti-Factor Xa) and clotting times (APTT). Using one of the most effective delivery agents in this series, an estimated relative bioavailability of 8% can be achieved following oral administration to cynomolgus monkeys. To establish a correlation between the in vivo data and an in vitro parameter, immobilized artificial membrane (IAM) chromatography was performed. Log relative k' values were correlated to the efficiency of oral heparin delivery.

  DOI：

  10.1021/jm970811m

文献信息

• Design, Synthesis and Antibacterial Activity of Coumarin-1,2,3-triazole Hybrids Obtained from Natural Furocoumarin Peucedanin
  作者：Alla V. Lipeeva、Danila O. Zakharov、Liubov G. Burova、Tatyana S. Frolova、Dmitry S. Baev、Ilia V. Shirokikh、Alexander N. Evstropov、Olga I. Sinitsyna、Tatyana G. Tolsikova、Elvira E. Shults

  DOI：10.3390/molecules24112126

  日期：——

  Synthesis of 1,2,3-triazole-substituted coumarins and also 1,2,3-triazolyl or 1,2,3-triazolylalk-1-inyl-linked coumarin-2,3-furocoumarin hybrids was performed by employing the cross-coupling and copper catalyzed azide-alkyne cycloaddition reaction approaches. The synthesized compounds were evaluated for their in vitro antibacterial activity against Staphylococcus aureus, Bacillius subtilis, Actinomyces

  1,2,3-三唑取代的香豆素以及 1,2,3-三唑基或 1,2,3-triazolylalk-1-inyl-linked coumarin-2,3-furocoumarin 杂化物的合成是通过使用交偶联和铜催化的叠氮化物-炔环加成反应方法。评价合成的化合物对金黄色葡萄球菌、枯草芽孢杆菌、粘性放线菌和大肠杆菌菌株的体外抗菌活性。香豆素-苯甲酸杂化物 4с, 42с 和 3-（（4-乙酰氨基-3-（甲氧基羰基）苯基）乙炔基）香豆素（29）显示出对金黄色葡萄球菌菌株的有希望的活性，以及​​ 1,2,3-triazolyloct-1 -inyl 连接的香豆素-2,3-呋喃香豆素杂种 37c 对枯草芽孢杆菌和大肠杆菌物种具有高选择性。4с, 29, 的体外抗菌活性 37c 和 42c 可以与临床中使用的许多现代抗生素药物进行比较，这表明进一步研究的前景广阔。使用对接模拟对与目标蛋白 MurB 的分子
• Synthetic transformations of higher terpenoids. XXI.* Preparation of phlomisoic acid and its N-containing derivatives
  作者：M. E. Mironov、Yu. V. Kharitonov、E. E. Shul’ts、M. M. Shakirov、I. Yu. Bagryanskaya、G. A. Tolstikov

  DOI：10.1007/s10600-010-9577-6

  日期：2010.5

  A method for preparing 15,16-epoxylabda-8(9),13(16),14-trien-18-oic (phlomisoic) acid was proposed. Its structure was confirmed by an XSA. N-containing derivatives of phlomisoic acid that contained amines, hydrazides, and methyl esters of amino acids on the C-18 atom in addition to (2-oxo-2-aminoacetyl)-substituted derivatives of the C-16 methyl ester of phlomisoic acid were prepared.

  提出了一种制备15,16-环氧实验树脂-8(9),13(16),14-三烯-18-酸（克伦庚酸）的方法。其结构通过XSA得到确认。还制备了克伦庚酸的含氮衍生物，这些衍生物在C-18原子上含有胺、肼和氨基酸的甲基酯，此外还有克伦庚酸C-16甲基酯的(2-氧-2-氨基乙酰基)取代衍生物。
• Antibacterially active amides
  申请人：Beecham Group Limited

  公开号：US04200635A1

  公开（公告）日：1980-04-29

  Carboxylic acid amides of formula (II): ##STR1## where R.sup.1 and R.sup.2 represent a variety of hydrocarbon or heterocyclic groups, possess antibacterial activity and antimycoplasmal activity and are therefore of value in the treatment of human and veterinary bacterial and mycoplasmal infections.

  化学式为(II)的羧酸酰胺：其中R.sup.1和R.sup.2代表多种烃基或杂环基团，具有抗菌活性和抗支原体活性，因此对于治疗人类和兽医细菌和支原体感染具有重要价值。
• Compounds and compositions for delivering active agents
  申请人：Emisphere Technologies, Inc.

  公开号：US20030008900A1

  公开（公告）日：2003-01-09

  Carrier compounds and compositions therewith which are useful in the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  本发明提供了用于传递活性物质的载体化合物和组合物。同时还提供了其管理和制备方法。
• COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS
  申请人：Sarubbi Donald J.

  公开号：US20090324540A1

  公开（公告）日：2009-12-31

  Carrier compounds and compositions therewith which are useful in the delivery of active agents are provided. Methods of administration and preparation are provided as well.

  本发明提供了用于传递活性剂的载体化合物和组合物。同时还提供了其治疗方法和制备方法。