1,3-bis[3-[4-[(3-amino-2-methylpropyl)-[(Z)-octadec-9-enyl]amino]butyl-[(Z)-octadec-9-enyl]amino]-2-hydroxypropyl]urea

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 1,3-bis[3-[4-[(3-amino-2-methylpropyl)-[(Z)-octadec-9-enyl]amino]butyl-[(Z)-octadec-9-enyl]amino]-2-hydroxypropyl]urea
• 化学式: C₉₅H₁₉₀N₈O₃
• 分子量: 1492.6
• InChiKey: XEAKJEAOWPFREC-LBGYZRTLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31
• 重原子数：
  106
• 可旋转键数：
  88
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  147
• 氢给体数：
  6
• 氢受体数：
  9

文献信息

• NEW TRANSFECTION REAGENTS
  申请人：Chu Yongliang

  公开号：US20070202598A1

  公开（公告）日：2007-08-30

  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; L′ is selected from the group consisting of alkylene, alkenylene, alkynylene, arylene, alkylene ether, and polyether; D is Q or a bond; A l 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.
• TRANSFECTION REAGENTS
  申请人：Chu Yongliang

  公开号：US20070202600A1

  公开（公告）日：2007-08-30

  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 )I, 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; L′ 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
• US7323594B2
  申请人：——

  公开号：US7323594B2

  公开（公告）日：2008-01-29
• US7470817B2
  申请人：——

  公开号：US7470817B2

  公开（公告）日：2008-12-30