N,N'-bis[(E)-octadec-9-enyl]-N,N'-bis(3-pyrazin-1-ium-1-ylpropyl)butane-1,4-diamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N,N'-bis[(E)-octadec-9-enyl]-N,N'-bis(3-pyrazin-1-ium-1-ylpropyl)butane-1,4-diamine
• 化学式: C54H98N6+2
• 分子量: 831.4
• InChiKey: WNCYUCMGIUACOI-XPWSMXQVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.8
• 重原子数：
  60
• 可旋转键数：
  45
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  40
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• TRANSFECTION REAGENTS
  申请人：CHU Yongliang

  公开号：US20120238747A1

  公开（公告）日：2012-09-20

  Disclosed are compounds capable of facilitating transport of biologically active agents or substances into cells having the general structure: wherein Q is selected from the group consisting of N, O and S; L is any bivalent organic radical capable of linking each Q, such as C, CH, (CH 2 )l, or (CH 2 )i-Y—(CH 2 )j}k, wherein Y is selected from the group consisting of CH 2 , an ether, a polyether, an amide, a polyamide, an ester, a sulfide, a urea, a thiourea, a guanidyl, a carbamoyl, a carbonate, a phosphate, a sulfate, a sulfoxide, an imine, a carbonyl, and a secondary amino group and wherein Y is optionally substituted by —X 1 -L′-X 2 —Z or —Z; R 1 -R 6 , independently of one another, are selected from the group consisting of H, —(CH 2 )p-D-Z, an alkyl, an alkenyl, an aryl, and an alkyl or alkyl ether optionally substituted by one or more of an alcohol, an aminoalcohol, an amine, an amide, an ether, a polyether, a polyamide, an ester, a mercaptan, an alkylthio, a urea, a thiourea, a guanidyl, or a carbamoyl group, and wherein at least one of R 1 , R 3 , R 4 and R 6 is a straight chain or branched, cyclic, alkyl, alkenyl, alkynyl or aryl group; and anyone of R 1 , R 3 , R 4 and/or R 6 may optionally be covalently linked with each other, with Y or with L when L is C or CH to form a cyclic moiety; Z is selected from the group consisting of amine, spermiyl, carboxyspermiyl, guanidyl, spermidinyl, putricinyl, diaminoalkyl, pyridyl, piperidinyl, pyrrolidinyl, polyamine, amino acid, peptide, and protein; X 1 and X 2 , independently of one another, are selected from the group consisting of NH, O, S, alkylene, and arylene; U is selected from the group consisting of alkylene, alkenylene, alkynylene, arylene, alkylene ether, and polyether; D is Q or a bond; A 1 and A 2 , independently of one another, are selected from the group consisting of CH 2 O, CH 2 S, CH 2 NH, C(O), CNH), C(S) and (CH 2 )t; X is a physiologically acceptable anion; m, n, r, s, u, v, w and y are 0 or 1, with the proviso that when both m and n are 0 at least one of r, s, u and y is other than 0; i, j, k, l, p and are integers from 0 to about 100; q is an integer from 1 to about 1000; and a is the number of positive charge divided by the valence of the anion.
• US7166745B1
  申请人：——

  公开号：US7166745B1

  公开（公告）日：2007-01-23
• US7173154B2
  申请人：——

  公开号：US7173154B2

  公开（公告）日：2007-02-06
• US7479573B2
  申请人：——

  公开号：US7479573B2

  公开（公告）日：2009-01-20
• US7601872B2
  申请人：——

  公开号：US7601872B2

  公开（公告）日：2009-10-13