N-Ditetradecylcarbamoylmethyl-2-{3-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-propylamino]-propylamino}-acetamide

• 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: N-Ditetradecylcarbamoylmethyl-2-{3-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-propylamino]-propylamino}-acetamide
• 英文别名: N-[2-[di(tetradecyl)amino]-2-oxoethyl]-2-[3-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propylamino]propylamino]acetamide
• 化学式: C₄₂H₈₅N₇O₂
• 分子量: 720.183
• InChiKey: XQCULCRYOXMQRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12
• 重原子数：
  51
• 可旋转键数：
  39
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  110
• 氢给体数：
  5
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (3-{tert-Butoxycarbonyl-[(ditetradecylcarbamoylmethyl-carbamoyl)-methyl]-amino}-propyl)-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-propyl]-carbamic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 N-Ditetradecylcarbamoylmethyl-2-{3-[3-(1,4,5,6-tetrahydro-pyrimidin-2-ylamino)-propylamino]-propylamino}-acetamide
  参考文献：
  名称：

  Introduction of cyclic guanidines into cationic lipids for non-viral gene delivery

  摘要：

  In order to study the impact of chemical modifications of lipopolyamines on their gene delivery properties, we have introduced cyclic guanidines into the polyamine moiety. These lipopolyamino-cycloguanidines can be easily obtained by reacting polyamines with 2-methylmercapto-2-imidazolinium iodide or 2-methylmercapto tetrahydropyrimidinium iodide. These lipopolyamino-cycloguanidines constitute a novel family of cationic lipids. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(99)02163-2

文献信息

• NOUVEAUX AGENTS DE TRANSFERT D'ACIDES NUCLEIQUES, COMPOSITIONS LES CONTENANT ET LEURS APPLICATIONS
  申请人：Aventis Pharma S.A.

  公开号：EP1068188A1

  公开（公告）日：2001-01-17
• [EN] NOVEL NUCLEIC ACID TRANSFER AGENTS, COMPOSITIONS CONTAINING SAME AND USES<br/>[FR] NOUVEAUX AGENTS DE TRANSFERT D'ACIDES NUCLEIQUES, COMPOSITIONS LES CONTENANT ET LEURS APPLICATIONS
  申请人：AVENTIS PHARMA S.A.

  公开号：WO1999051581A1

  公开（公告）日：1999-10-14

  (EN) The invention concerns novel compounds useful as agents for transferring nucleic acids into cells. Said novel compounds are more particularly related to the lipopolyamine family, and comprise at least a cyclic amidine function. They are useful for transfecting nucleic acids of interest into different cell types, $i(in vitro) as well as $i(in vivo) or $i(ex vivo).(FR) La présente invention concerne de nouveaux composées utiles comme agents de transfert d'acides nucléiques dans les cellules. Ces nouveaux composés sont plus particulièrement apparentés à la famile des lipopolyamines, et comportent au moins une fonction amidine cyclique. Ils sont utiles pour la transfection des acides nucléiques d'intérêt dans différents types cellulaires, aussi bien $i(in vitro) que $i(in vivo) ou $i(ex vivo).
• Introduction of cyclic guanidines into cationic lipids for non-viral gene delivery
  作者：Marc Frederic、Daniel Scherman、Gerardo Byk

  DOI：10.1016/s0040-4039(99)02163-2

  日期：2000.1

  In order to study the impact of chemical modifications of lipopolyamines on their gene delivery properties, we have introduced cyclic guanidines into the polyamine moiety. These lipopolyamino-cycloguanidines can be easily obtained by reacting polyamines with 2-methylmercapto-2-imidazolinium iodide or 2-methylmercapto tetrahydropyrimidinium iodide. These lipopolyamino-cycloguanidines constitute a novel family of cationic lipids. (C) 2000 Elsevier Science Ltd. All rights reserved.