DL-alanine hexadecyl ester | 76548-80-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: DL-alanine hexadecyl ester
• 英文别名: DL-2-Amino-propionsaeure-hexadecylester；DL-Alanin-hexadecylester；Hexadecyl 2-aminopropanoate
• CAS: 76548-80-6
• 化学式: C₁₉H₃₉NO₂
• 分子量: 313.524
• InChiKey: UCCMBYBOOAOUMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  22
• 可旋转键数：
  17
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  DL-alanine hexadecyl ester 在 18-冠醚-6 、 Amberlyst A-26 chloride ion exchange resin column 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 [1-(hexadecyloxycarbonyl)ethyl]trimethylammonium chloride
  参考文献：
  名称：

  Efficient and Simple NaBH₄ Reduction of Esters at Cationic Micellar Surface

  摘要：

  A simple, efficacious, and biocompatible methodology for reducing esters with sodium borohydride at an aqueous cationic micellar surface under ambient conditions has been developed. The present method holds promise for future use in selective functional group reduction and stereocontrolled alcohol synthesis.

  DOI：

  10.1021/ol0481176
• 作为产物：
  描述：

  1-十六烷醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 DL-alanine hexadecyl ester
  参考文献：
  名称：

  Efficient and Simple NaBH₄ Reduction of Esters at Cationic Micellar Surface

  摘要：

  A simple, efficacious, and biocompatible methodology for reducing esters with sodium borohydride at an aqueous cationic micellar surface under ambient conditions has been developed. The present method holds promise for future use in selective functional group reduction and stereocontrolled alcohol synthesis.

  DOI：

  10.1021/ol0481176

文献信息

• Contrast agents
  申请人：——

  公开号：US20040146462A1

  公开（公告）日：2004-07-29

  Ultrasonic visualisation of a subject, particularly of perfusion in the myocardium and other tissues, is performed using novel gas-containing contrast agent preparations which promote controllable and temporary growth of the gas phase in vivo following administration and can therefore act as deposited perfusion tracers. The preparations comprise an injectable aqueous medium comprising dispersed gas and an injectable oil-in-water emulsion in which the oil phase comprises a diffusible component capable of diffusion in vivo into the dispersed gas to promote temporary growth thereof, such that material present at the surfaces of the dispersed gas phase and material present at the surfaces of the dispersed oil phase have affinity for each other, e.g. as a result of having opposite charges. In cardiac perfusion imaging the preparations may advantageously be coadministered with vasodilator drugs such as adenosine in order to enhance the differences between return signal intensity from normal and hypoperfused myocardial tissue respectively.

  使用新型含气对比剂制剂进行超声成像，特别是心肌和其他组织的灌注成像，这些制剂促进体内气相的可控、暂时性生长，因此可以作为沉积的灌注示踪剂。这些制剂包括可注射的水性介质，其中包含分散的气体和可注射的油水乳液，其中油相包含可扩散的成分，能够在体内扩散到分散的气体中促进其暂时性生长，使分散气体相和分散油相表面的物质互相吸引，例如由于具有相反的电荷。在心脏灌注成像中，这些制剂可以优势地与血管扩张药物（如腺苷）同时使用，以增强正常和低灌注心肌组织的回波信号强度差异。
• IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS
  申请人：Marsden, John Christopher

  公开号：EP1073473A1

  公开（公告）日：2001-02-07
• CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION
  申请人：Monsanto Technology LLC

  公开号：EP1135398A1

  公开（公告）日：2001-09-26
• US6218563B1
  申请人：——

  公开号：US6218563B1

  公开（公告）日：2001-04-17
• [EN] IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS<br/>[FR] AMELIORATIONS APPORTEES A DES AGENTS DE CONTRASTE OU EN RAPPORT AVEC CES AGENTS
  申请人：MARSDEN, John, Christopher

  公开号：WO1999053963A1

  公开（公告）日：1999-10-28

  (EN) Ultrasonic visualisation of a subject, particularly of perfusion in the myocardium and other tissues, is performed using novel gas-containing contrast agent preparations which promote controllable and temporary growth of the gas phase $i(in vivo) following administration and can therefore act as deposited perfusion tracers. The preparations comprise an injectable aqueous medium comprising dispersed gas and an injectable oil-in-water emulsion in which the oil phase comprises a diffusible component capable of diffusion $i(in vivo) into the dispersed gas to promote temporary growth thereof, such that material present at the surfaces of the dispersed gas phase and material present at the surfaces of the dispersed oil phase have affinity for each other, e.g. as a result of having opposite charges. In cardiac perfusion imaging the preparations may advantageoulsy be coadministered with vasodilator drugs such as adenosine in order to enhance the differences between return signal intensity from normal and hypoperfused myocardial tissue respectively.(FR) La présente invention concerne la visualisation ultrasonique, en particulier d'une perfusion dans le myocarde et autres tissus, au moyen de nouvelles préparations d'agent de contraste renfermant du gaz. Une fois injectées, ces préparations favorisent une croissance maîtrisée et temporaire de la phase gazeuse in vivo et peuvent donc jouer le rôle de marqueurs de perfusion déposés. Les préparations renferment un milieu aqueux injectable composé de gaz à l'état de dispersion et d'une émulsion huile dans eau injectable dans laquelle la phase huileuse comprend un agent pouvant se diffuser in vivo dans le gaz dispersé et favoriser la croissance momentanée dudit gaz, de sorte que la matière présente sur les surfaces de la phase gazeuse dispersée et la matière présente sur les surfaces de la phase huileuse dispersée aient une affinité mutuelle, notamment à cause de leurs charge opposée. En ce qui concerne la visualisation de perfusions cardiaques, les préparations peuvent être utilement co-administrées avec des vasodilatateurs de type adénosine, le but étant d'accentuer les différences d'intensité entre signaux de retour selon que le tissu myocardique est normal ou en état d'hypoperfusion.