12-aminododecanoic acid ethyl ester | 53005-23-5

• 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: 12-aminododecanoic acid ethyl ester
• 英文别名: ethyl 12-aminododecanoate；ethyl 12-aminolaurate；12-Amino-laurinsaeure-aethylester；12-Amino-dodecansaeure-aethylester
• CAS: 53005-23-5
• 化学式: C₁₄H₂₉NO₂
• 分子量: 243.39
• InChiKey: PATUZIMYRRFICT-UHFFFAOYSA-N

物化性质

• 熔点：
  33-35 °C
• 沸点：
  321.6±15.0 °C(Predicted)
• 密度：
  0.912±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  17
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 储存条件：
  室温

反应信息

• 作为反应物：
  描述：

  12-aminododecanoic acid ethyl ester 在 盐酸 作用下， 生成 12-氨基十二酸
  参考文献：
  名称：

  Neuberger, Proceedings of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences, 1937, vol. 158, p. 93

  摘要：

  DOI：
• 作为产物：
  描述：

  12-溴十二烷酸乙酯 在 sodium azide 、 三苯基膦 作用下， 以 四氢呋喃 、 二甲基亚砜 为溶剂， 反应 42.0h， 生成 12-aminododecanoic acid ethyl ester
  参考文献：
  名称：

  碳链长度通过线粒体靶向芳基尿素脂肪酸来调节MDA-MB-231乳腺癌细胞杀伤机制。

  摘要：

  靶向肿瘤细胞线粒体可以产生新型抗癌药。我们设计了一种芳基脲脂肪酸（1 g； 16（{[4-氯-3-（三氟甲基）苯基]氨基甲酰基}氨基）十六烷酸）破坏线粒体并降低MDA-MB-231乳腺癌细胞的活力。为了优化芳基脲，本研究评估了1 g含10-17个碳原子之间烷基链的类似物的线粒体靶向性。使用染料JC-1，C12-C17类似物可有效破坏线粒体膜电位（IC50为3.5±1.2至7.6±1.1μM）并破坏ATP的产生；较短的类似物活性较低。7-氨基放线菌素D / annexin V染色和流式细胞仪显示这些试剂在不同程度上激活了坏死和细胞凋亡的杀伤机制（7-氨基放线菌素D / annexin V染色比为4.3-6.0）。的确，1 g及其C17类似物分别优先激活坏死和凋亡（比率2.1和16）。综上所述，烷基链长是芳基脲对线粒体靶向的决定因素，可以改变以开发出以调节方式激活细胞凋亡或坏死的类似物。

  DOI：

  10.1002/cmdc.201900577

文献信息

• Functional synthetic molecules and macromolecules for gene delivery
  申请人：Grinstaff W. Mark

  公开号：US20060241071A1

  公开（公告）日：2006-10-26

  The present invention describes a synthetic non-viral vector composition for gene therapy and the use of such compositions for in vitro, ex vivo and/or in vivo transfer of genetic material. The invention proposes a pharmaceutical composition containing 1) a non-cationic amphiphilic molecule or macromolecule and its use for delivery of nucleic acids or 2) a cationic amphiphilic molecule or macromolecule that transforms from a cationic entity to an anionic, neutral, or zwitterionic entity by a chemical, photochemical, or biological reaction and its use for delivery of nucleic acids. Moreover this invention describes the use of these non-viral vector compositions in conjunction with a surface to mediate the delivery of nucleic acids. An additional embodiment is the formation of a hydrogel with these compositions and the use of this hydrogel for the delivery of genetic material. A further embodiment of this invention is the use of a change in ionic strength for the delivery of genetic material.

  本发明描述了一种用于基因治疗的合成非病毒载体组合，以及这种组合在体外、体内和/或体外转移遗传物质中的应用。该发明提出了一种包含1）非阳离子性两性分子或大分子的药物组合物及其用于传递核酸或2）由化学、光化学或生物反应从阳离子实体转变为阴离子、中性或带电离子实体的两性阳离子分子或大分子的药物组合物，以及其用于核酸传递。此外，本发明描述了这些非病毒载体组合物与表面结合以介导核酸传递的应用。另一实施例是使用这些组合物形成水凝胶，并利用该水凝胶传递遗传物质。本发明的另一实施例是利用离子强度变化传递遗传物质。
• Evaluation of new positively charged 11- and 12-carbon 99mTc-labeled fatty acid derivatives for myocardial imaging
  作者：Anupam Mathur、Madhava B. Mallia、Haladhar D. Sarma、Sharmila Banerjee、Meera Venkatesh

  DOI：10.1002/jlcr.1784

  日期：2010.7

  Radiolabeled fatty acids are used as tracers for myocardial metabolic imaging and currently 123I-iodophenyl pentadecanoic acid (IPPA) or 123I-β-methyl-iodophenyl pentadecanoic acid (BMIPP) are the agents of choice. However, 123I being a cyclotron-produced isotope, 99mTc-labeled fatty acids are more desirable substitutes to 123I-labeled fatty acids. Toward this, two fatty acids, having 11 and 12 carbon atoms respectively, modified with cysteine were synthesized in a four-step procedure. These ligands were then radiolabeled with 99mTc using the [99mTcN(PNP6)]2+ core. Formation of the complexes and determination of radiochemical yields were ascertained by HPLC technique. In vivo distribution of the complexes was carried out in Swiss mice and the results are compared with 125I-IPPA. Both the complexes showed fast clearance from the myocardium till 10 min post injection (p.i.) followed by retention in the myocardium till 30 min p.i. However, compared with the result obtained with 125I-IPPA, the amount of activity retained in the myocardium by the present complexes were low. Both the complexes showed rapid clearance from liver, lungs, and blood unlike the case with 125I-IPPA. Copyright © 2010 John Wiley & Sons, Ltd.

  放射性标记的脂肪酸被用作心肌代谢成像的示踪剂，目前 123I-iodophenyl pentadecanoic acid (IPPA) 或 123I-β-methyl-iodophenyl pentadecanoic acid (BMIPP) 是首选制剂。然而，123I 是一种回旋加速器产生的同位素，因此 99mTc 标记的脂肪酸比 123I 标记的脂肪酸更为理想。为此，我们通过四步程序合成了两种分别具有 11 和 12 个碳原子的脂肪酸，并用半胱氨酸对其进行了修饰。然后使用[99mTcN(PNP6)]2+ 核心对这些配体进行 99mTc 放射性标记。复合物的形成和放射化学收率的测定均通过 HPLC 技术进行。复合物在瑞士小鼠体内的分布情况与 125I-IPPA 进行了比较。两种复合物都显示在注射后 10 分钟内迅速从心肌中清除，然后在心肌中保留到注射后 30 分钟。然而，与 125I-IPPA 的结果相比，本复合物在心肌中保留的活性量较低。与 125I-IPPA 不同的是，这两种复合物都能迅速从肝脏、肺部和血液中清除。Copyright © 2010 John Wiley & Sons, Ltd. All Rights Reserved.
• Glycolipid nanotube templates for the production of hydrophilic/hydrophobic and left/right-handed helical polydiacetylene nanotubes
  作者：Naohiro Kameta、Wuxiao Ding、Mitsutoshi Masuda

  DOI：10.1039/d0cc07387c

  日期：——

  Encapsulation and preorganization of diacetylene monomers in glycolipid nanotube templates leads to the production of hydrophilic/hydrophobic and left/right-handed helical polydiacetylene nanotubes.

  将二乙烯单体封装和预组织在糖脂纳米管模板中，可制备亲水/疏水和左/右手螺旋聚二乙烯纳米管。
• Composition for use in golf balls and sports equipment
  申请人：Kim Jin Hyun

  公开号：US20060014898A1

  公开（公告）日：2006-01-19

  The present invention relates to a novel blend composition suitable for use in sports equipment in general and in particular for use in golf ball manufacture. The composition is the reaction product of; A) a polymer of ethylene and/or one or more alpha olefins, and an acid, ester, or anhydride (“Component (A)”); and B) a compound comprising both an amine and a carboxylic acid in the same molecule which may be present in either a neutral or ionic or zwitterionic form (“Component (B)”); and C) a basic metal ion salt, capable of neutralizing the acid groups of Component (A) and/or Component (B). The metal ions including Li + , Na + , K + , Zn + , Co 2+ , Ca 2+ , Ni 2+ , Cu 2+ , Pb 2+ , and Mg 2+ , with Li + , Na + , Zn 2+ , Ca 2+ , and Mg 2+ being preferred, and their salts include those of, for example, formic acid, acetic acid, nitric acid, sulfuric acid, carbonic acid, bicarbonic acid, as well as the metal oxides, hydroxides, and alkoxides (“Component (C)”). The present invention is also embodied in a blend composition including the reaction product of one or more ionomers and Component (B) which is a compound having a general formula (R 2 N) m —R′—(X(O) n OR y ) m , where R is either hydrogen, one or more C 1 -C 20 aliphatic systems, one or more cycloaliphatic systems, one or more aromatic systems, or a combination of these. Also R′ is a bridging group comprising one or more unsubstituted C 1 -C 20 straight chain or branched aliphatic or alicyclic groups, or one or more substituted straight chain or branched aliphatic or alicyclic groups, or one or more aromatic groups, one or more oligomers each containing up to 12 repeating units, and when X is C or S or P, m is 1-3. Also when X=C, n=1 and y=1, and when X=S, n=2 and y=1, and when X=P, n=2 and y=2. The present invention also resides in a golf ball including a core, an outer cover layer; and from 0 to 5 intermediate layers, wherein one or more of said core, outer cover, and/or intermediate layers, if present, includes the aforementioned blend compositions. Finally, the present invention is also embodied in sports equipment items comprising the aforementioned blend compositions.

  本发明涉及一种适用于一般运动器材，尤其适用于高尔夫球制造的新型混合物。该组合物是以下物质的反应产物：A）乙烯和/或一种或多种α-烯烃的聚合物，以及酸、酯或酸酐（"组分（A）"）；B）在同一分子中包含胺和羧酸的化合物，可以中性或离子或齐聚物形式存在（"组分（B）"）；以及 C）碱性金属离子盐，能够中和组分（A）和/或组分（B）的酸性基团。金属离子包括 Li + 、Na + , K + , Zn + , Co 2+ Ca 2+ Ni 2+ , Cu 2+ , Pb 2+ 和 Mg 2+ 与 Li + 、Na + 、Zn 2+ Ca 2+ 和 Mg 2+ 它们的盐包括甲酸、乙酸、硝酸、硫酸、碳酸、碳酸氢盐以及金属氧化物、氢氧化物和烷氧基化合物（"组分 (C)"）。 本发明还体现在一种混合组合物中，该组合物包括一种或多种离聚物与组分（B）的反应产物，组分（B）是一种具有通式（R 2 N) m -R′-(X(O) n 或 y ) m 其中 R 是氢、一个或多个 C 1 -C 20 脂族体系、一个或多个环脂族体系、一个或多个芳香族体系，或它们的组合。此外，R′是一个桥基，由一个或多个未取代的 C 1 -C 20 直链或支链脂肪族或脂环族基团，或一个或多个取代的直链或支链脂肪族或脂环族基团，或一个或多个芳香族基团，一个或多个低聚物，每个低聚物最多包含 12 个重复单元，当 X 为 C 或 S 或 P 时，m 为 1-3。另外，当 X=C 时，n=1，y=1；当 X=S 时，n=2，y=1；当 X=P 时，n=2，y=2。本发明还涉及一种高尔夫球，包括一个球芯、一个外包层；以及 0 至 5 个中间层，其中一个或多个所述球芯、外包层和/或中间层（如果存在）包括上述混合成分。最后，本发明还体现在包含上述混合物的运动器材中。
• Potent Oligomerization and Macrocyclization Activity of the Thioesterase Domain of Vicenistatin Polyketide Synthase
  作者：Tadashi Eguchi、Fumitaka Kudo、Yusaku Asou、Moe Watanabe、Takashi Kitayama

  DOI：10.1055/s-0031-1290385

  日期：2012.7

  The thioesterase domain of the polyketide synthase involved in the biosynthesis of the 20-membered macrolactam antibiotic vicenistatin (VinTE) was found to catalyze oligomerization and macrocyclization of omega-hydroxy fatty acid ethyl esters to afford 17-28-membered macrocyclic lactones. The ring sizes of the macrocycles appear to be limited to the more moderate sizes because of the space limitation of the active site of VinTE. It was also verified that the initially formed linear dimer is first released from the active site of VinTE and then is recognized again by VinTE prior to its transformation to the cyclic dimer.