N-(2,3-dihydroxy-propyl)-N'-[3-({3-[(2,3-dihydroxy-propyl)-methyl-carbamoyl]-5-[(2-hydroxy-acetyl)-methyl-amino]-2,4,6-triiodo-benzoyl}-methyl-amino)-propyl]-5-[(2-hydroxy-acetyl)-methyl-amino]-2,4,6-triiodo-N,N'-dimethyl-isophthalamide | 1143450-74-1

• 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: N-(2,3-dihydroxy-propyl)-N'-[3-({3-[(2,3-dihydroxy-propyl)-methyl-carbamoyl]-5-[(2-hydroxy-acetyl)-methyl-amino]-2,4,6-triiodo-benzoyl}-methyl-amino)-propyl]-5-[(2-hydroxy-acetyl)-methyl-amino]-2,4,6-triiodo-N,N'-dimethyl-isophthalamide
• 英文别名: 3-N-(2,3-dihydroxypropyl)-1-N-[3-[[3-[2,3-dihydroxypropyl(methyl)carbamoyl]-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodobenzoyl]-methylamino]propyl]-5-[(2-hydroxyacetyl)-methylamino]-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
• CAS: 1143450-74-1
• 化学式: C₃₅H₄₄I₆N₆O₁₂
• 分子量: 1502.19
• InChiKey: FMKZCTRENXSEKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  59
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.49
• 拓扑面积：
  243
• 氢给体数：
  6
• 氢受体数：
  12

文献信息

• [EN] CONTRAST AGENTS<br/>[FR] AGENTS DE CONTRASTE
  申请人：GE HEALTHCARE AS

  公开号：WO2009047319A1

  公开（公告）日：2009-04-16

  The present invention relates to a class of compounds and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing two linked iodinated phenyl groups of the general formula (I) and salts or optical active isomers thereof, wherein each R1 independently are the same or different and denotes a hydrogen atom or a C1 to C4 straight or branched alkyl group which is optionally substituted by 1 to 4 - OH groups; each of R2 independently are the same or different and denote a hydrogen atom or a C1 to C4 straight or branched alkyl group; each R3 independently are the same or different and denotes a hydrogen atom or a C1 to C4 straight or branched alkyl group which is optionally substituted by 1 to 4 - OH groups; each R4 independently are the same or different and denote C1 to C6 straight or branched alkyl moieties substituted by up to 6 -OH groups; and each R5 independently are the same or different and denote C1 to C6 straight or branched alkyl moieties substituted by up to 6 -OH groups; and X denotes a straight chain alkylene moiety with 3 to 10 carbon atoms, a 1,4- cyclohexylene group, or X together with the adjacent -NR1 groups forms a 1,4- piperazine group or a 4-aminopiperidine group. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging, and to contrast media containing such compounds.

  本发明涉及一类化合物和含有这种化合物的诊断组合物，其中这些化合物是含碘化合物。更具体地说，这些含碘化合物是化学化合物，包含有通式（I）中两个相连的碘化苯基团及其盐或光学活性异构体，其中每个R1独立地相同或不同，并表示氢原子或C1到C4直链或支链烷基基团，该基团可选地被1到4个-OH基取代；每个R2独立地相同或不同，并表示氢原子或C1到C4直链或支链烷基基团；每个R3独立地相同或不同，并表示氢原子或C1到C4直链或支链烷基基团，该基团可选地被1到4个-OH基取代；每个R4独立地相同或不同，并表示被高达6个-OH基取代的C1到C6直链或支链烷基基团；每个R5独立地相同或不同，并表示被高达6个-OH基取代的C1到C6直链或支链烷基基团；X表示具有3到10个碳原子的直链烷基基团，1,4-环己基基团，或X与相邻的-NR1基团一起形成1,4-哌嗪基团或4-氨基哌啶基团。本发明还涉及将这种诊断组合物用作对比剂进行诊断成像，特别是X射线成像，以及含有这种化合物的对比介质。
• CONTRAST AGENTS
  申请人：Newington Ian Martin

  公开号：US20100221189A1

  公开（公告）日：2010-09-02

  The present invention relates to a class of compounds and to diagnostic compositions containing such compounds where the compounds are iodine containing compounds. More specifically the iodine containing compounds are chemical compounds containing two linked iodinated phenyl groups of the general formula (I) and salts or optical active isomers thereof, wherein each R 1 independently are the same or different and denotes a hydrogen atom or a C 1 to C 4 straight or branched alkyl group which is optionally substituted by 1 to 4 —OH groups; each of R 2 independently are the same or different and denote a hydrogen atom or a C 1 to C 4 straight or branched alkyl group; each R 3 independently are the same or different and denotes a hydrogen atom or a C 1 to C 4 straight or branched alkyl group which is optionally substituted by 1 to 4 —OH groups; each R 4 independently are the same or different and denote C 1 to C 6 straight or branched alkyl moieties substituted by up to 6 —OH groups; and each R 5 independently are the same or different and denote C 1 to C 6 straight or branched alkyl moieties substituted by up to 6 —OH groups; and X denotes a straight chain alkylene moiety with 3 to 10 carbon atoms, a 1,4-cyclohexylene group, or X together with the adjacent —NR 1 groups forms a 1,4-piperazine group or a 4-aminopiperidine group. The invention also relates to the use of such diagnostic compositions as contrast agents in diagnostic imaging and in particular in X-ray imaging, and to contrast media containing such compounds.

  本发明涉及一类化合物和含有这些化合物的诊断组合物，其中这些化合物是含碘化合物。更具体地说，这些含碘化合物是化学化合物，包含两个连接的碘化苯基团，具有一般式（I）及其盐或光学异构体，其中每个R1独立地相同或不同，表示氢原子或C1到C4直链或支链烷基，该烷基可被1到4个-OH基取代；每个R2独立地相同或不同，表示氢原子或C1到C4直链或支链烷基；每个R3独立地相同或不同，表示氢原子或C1到C4直链或支链烷基，该烷基可被1到4个-OH基取代；每个R4独立地相同或不同，表示C1到C6直链或支链烷基基团，可被多达6个-OH基取代；每个R5独立地相同或不同，表示C1到C6直链或支链烷基基团，可被多达6个-OH基取代；X表示直链烷基基团，具有3到10个碳原子，1,4-环己基基团，或X与相邻的-NR1基团一起形成1,4-哌嗪基团或4-氨基哌嗪基团。本发明还涉及将这种诊断组合物用作对比剂进行诊断成像，特别是X射线成像，以及含有这些化合物的对比介质。
• US8202511B2
  申请人：——

  公开号：US8202511B2

  公开（公告）日：2012-06-19