benzyl N-[3-(dimethylamino)propyl]carbamate | 1026356-32-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: benzyl N-[3-(dimethylamino)propyl]carbamate
• CAS: 1026356-32-0
• 化学式: C₁₃H₂₀N₂O₂
• mdl: MFCD29974499
• 分子量: 236.314
• InChiKey: ISVXWCNOKYBQII-UHFFFAOYSA-N

物化性质

• 沸点：
  364.2±35.0 °C(Predicted)
• 密度：
  1.053±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  benzyl N-[3-(dimethylamino)propyl]carbamate 在 碳酸氢钠 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  蜘蛛Macrothele gigas毒液中多胺毒素MG30的结构和对映选择性合成

  摘要：

  从蜘蛛的毒液Macrothele gigas分离出一种新型的多胺毒素MG30，并通过二维NMR和质量分析对其结构进行了阐明。另外，实现了MG30的对映选择性合成以赋予其绝对立体化学。

  DOI：

  10.1016/j.tetlet.2004.05.076
• 作为产物：
  描述：

  苯甲氧羰酰琥珀酰亚胺 、 N,N-二甲基-1,3-二氨基丙烷 以 氯仿 为溶剂， 反应 2.0h， 以98.7%的产率得到benzyl N-[3-(dimethylamino)propyl]carbamate
  参考文献：
  名称：

  Separation material comprising phosphoryl choline derivatives

  摘要：

  本发明提供了一般式（I）的磷酸胆碱衍生物，适合固定在固体支架上，以提供分离材料，其具有与蛋白质高亲和力和高特异性结合的能力，更具体地结合到C-反应蛋白和抗磷酸胆碱抗体。该分离材料在从患者的生物液中外体清除C-反应蛋白和抗磷酸胆碱抗体，以预防和/或治疗免疫功能障碍和心血管疾病方面特别有用。还声明了一种包含由公式（I）制成的分离材料的柱子的装置，其中L是如权利要求中定义的连接剂;X选自：-SH，-NHR3，-C = CH，-CH = CH2，-N3，-CHO。还声明了一种一般式（II）的分离材料：其中A是固体支架; Y是从反应基团X获得的基团。

  公开号：

  EP2957563A1

文献信息

• SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES
  申请人：Pentracor GmbH

  公开号：EP3041852A1

  公开（公告）日：2016-07-13
• [EN] SEPARATION MATERIAL COMPRISING PHOSPHORYL CHOLINE DERIVATIVES<br/>[FR] MATÉRIAU DE SÉPARATION COMPRENANT DES DÉRIVÉS PHOSPHORYLCHOLINE
  申请人：PENTRACOR GMBH

  公开号：WO2015193504A1

  公开（公告）日：2015-12-23

  The present invention provides phosphoryl choline derivatives of general formula (I), which are suitable to be immobilized on a solid support to provide a separation material of general formula (II), which bind with both high affinity and high specificity to a protein, more specifically to C-reactive protein and anti-phosphoryl choline antibodies. Said separation materials are particularly useful in the extracorporeal removal of C-reactive protein and anti-phosphoryl choline antibodies from a biological fluid of a patient for prophylaxis and/or treatment of immune dysfunctions and cardiovascular diseases. Also provided is a column that comprises the separation material of general formula (II), as well as a device containing the column. Formula (I), wherein variable X is selected from: -SH, -NHR3, -C=CH, -CH=CH2, -N3and -CHO; the other variables are as defined in the claims: Formula (II), wherein variable "A" represents a solid support. "A" as well as the other variables are defined in detail in the claims.
• Separation material comprising phosphoryl choline derivatives
  申请人：Pentracor GmbH

  公开号：EP2957563A1

  公开（公告）日：2015-12-23

  The present invention provides phosphoryl choline derivatives of general formula (I), which are suitable to be immobilized on a solid support to provide a separation material, which bind with both high affinity and high specificity to a protein, more specifically to C-reactive protein and anti-phosphoryl choline antibodies. Said separation materials are particularly useful in the extracorporeal removal of C-reactive protein and anti-phosphoryl choline antibodies from a biological fluid of a patient for prophylaxis and/or treatment of immune dysfunctions and cardiovascular diseases. Also claimed is a device containing a column that comprises separation material made from formula (I) wherein L is a linker as defined in the claims; X is selected from: -SH, -NHR3, -C=CH, -CH=CH2, -N3, -CHO. Also claimed is a separation material of general formula (II): wherein A is a solid support; Y is a group obtainable from the reactive group X.

  本发明提供了一般式（I）的磷酸胆碱衍生物，适合固定在固体支架上，以提供分离材料，其具有与蛋白质高亲和力和高特异性结合的能力，更具体地结合到C-反应蛋白和抗磷酸胆碱抗体。该分离材料在从患者的生物液中外体清除C-反应蛋白和抗磷酸胆碱抗体，以预防和/或治疗免疫功能障碍和心血管疾病方面特别有用。还声明了一种包含由公式（I）制成的分离材料的柱子的装置，其中L是如权利要求中定义的连接剂;X选自：-SH，-NHR3，-C = CH，-CH = CH2，-N3，-CHO。还声明了一种一般式（II）的分离材料：其中A是固体支架; Y是从反应基团X获得的基团。
• Structure and enantioselective synthesis of polyamine toxin MG30 from the venom of the spider Macrothele gigas
  作者：Nahoko Yamaji、Manabu Horikawa、Gerardo Corzo、Hideo Naoki、Joachim Haupt、Terumi Nakajima、Takashi Iwashita

  DOI：10.1016/j.tetlet.2004.05.076

  日期：2004.7

  A novel polyamine toxin, named MG30, was isolated from the venom of the spider, Macrothele gigas, and its structure was elucidated by two-dimensional NMR and mass analysis. In addition, the enantioselective synthesis of MG30 was achieved to assign its absolute stereochemistry.

  从蜘蛛的毒液Macrothele gigas分离出一种新型的多胺毒素MG30，并通过二维NMR和质量分析对其结构进行了阐明。另外，实现了MG30的对映选择性合成以赋予其绝对立体化学。