5-Acetylamino-N,N,N',N'-tetrakis-(2-hydroxy-ethyl)-2,4,6-triiodo-isophthalamide | 31127-79-4

• 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: 5-Acetylamino-N,N,N',N'-tetrakis-(2-hydroxy-ethyl)-2,4,6-triiodo-isophthalamide
• 英文别名: 5-acetylamino-N,N,N',N'-tetrakis-(2-hydroxyethyl)-2,4,6-triiodoisophthalamide；5-acetamido-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
• CAS: 31127-79-4
• 化学式: C₁₈H₂₄I₃N₃O₇
• 分子量: 775.118
• InChiKey: RSAFWVMQQSKZMI-UHFFFAOYSA-N

物化性质

• 熔点：
  222-252 °C
• 沸点：
  935.8±65.0 °C(Predicted)
• 密度：
  2.181±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  151
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  5-Acetylamino-N,N,N',N'-tetrakis-(2-hydroxy-ethyl)-2,4,6-triiodo-isophthalamide 、 双环氧化丁二烯 在 硼酸 、 potassium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以63%的产率得到5,5'-(2,3-dihydroxybutane-1,4-diyl)bis(acetylazanediyl)bis(N1,N1,N3,N3-tetrakis(2-hydroxyethyl)-2,4,6-triiodoisophthalamide)
  参考文献：
  名称：

  [EN] CONTRAST AGENTS
  [FR] AGENTS DE CONTRASTE

  摘要：

  公开号：

  WO2009106551A3
• 作为产物：
  描述：

  5-amino-1-N,1-N,3-N,3-N-tetrakis(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide 、 乙酰氯 生成 5-Acetylamino-N,N,N',N'-tetrakis-(2-hydroxy-ethyl)-2,4,6-triiodo-isophthalamide
  参考文献：
  名称：

  DIMO, I.;BONNEMAIN, B.;HARDOIN, J. C.;LAUTROU, J.

  摘要：

  DOI：

文献信息

• CONTRAST AGENTS
  申请人：Priebe Hanno

  公开号：US20110052504A1

  公开（公告）日：2011-03-03

  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 R—N(CO—CH 3 )XN(CO—CH 3 )—R and salts or optical active isomers thereof, wherein X denotes a divalent linking moiety with 5 to 10 bridge elements of carbon, oxygen, sulphur and nitrogen separating the acetylated nitrogen atoms, and which may be further substituted by hydroxyl groups, by C 1 to C 4 alkyl moieties optionally substituted by hydroxyl groups, by C 1 to C 4 alkoxy groups, by amino groups and by C 1 to C 4 alkylamino groups, and wherein 2 or 3 carbon bridge elements together with alkyl or alkoxy groups form a cyclopentane, cyclohexane, pentahydropyran or tetrahydrofuran entity which may be alkyl- or hydroxyalkyl-substituted and each R denotes a triiodinated phenyl residue further substituted by hydrophilic moieties. 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有碘的化合物。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，其通用式为R—N(CO—CH3)XN(CO—CH3)—R及其盐或光学活性异构体，其中X表示一种二价连接基，其中有5到10个碳、氧、硫和氮桥元素分隔乙酰化的氮原子，并且这些基团可能进一步被羟基基团、C1到C4烷基基团（可选择地被羟基基团取代）、C1到C4烷氧基团、氨基团和C1到C4烷基氨基团取代，其中2或3个碳桥元素与烷基或烷氧基团一起形成环戊烷、环己烷、五氢吡喃或四氢呋喃实体，该实体可能被烷基或羟基烷基取代，每个R表示进一步被亲水基团取代的三碘化苯基残基。该发明还涉及将这种诊断组合物用作对比剂进行诊断成像，特别是在X射线成像中，并涉及含有这种化合物的对比介质。
• Contrast agents
  申请人：Priebe Hanno

  公开号：US08535642B2

  公开（公告）日：2013-09-17

  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 R—N(CO—CH3)—X—N(CO—CH3)—R and salts or optical active isomers thereof, wherein X denotes a divalent linking moiety with 5 to 10 bridge elements of carbon, oxygen, sulphur and nitrogen separating the acetylated nitrogen atoms, and which may be further substituted by hydroxyl groups, by C1 to C4 alkyl moieties optionally substituted by hydroxyl groups, by C1 to C4 alkoxy groups, by amino groups and by C1 to C4 alkylamino groups, and wherein 2 or 3 carbon bridge elements together with alkyl or alkoxy groups form a cyclopentane, cyclohexane, pentahydropyran or tetrahydrofuran entity which may be alkyl- or hydroxyalkyl-substituted and each R denotes a triiodinated phenyl residue further substituted by hydrophilic moieties. 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有碘的化合物。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，其一般式为R—N（CO—CH3）—X—N（CO—CH3）—R，以及其盐或光学活性异构体，其中X表示一个二价连接基，其中有5到10个碳，氧，硫和氮的桥元素分隔乙酰化氮原子，并且可能进一步由羟基，C1到C4烷基基团（可选择地由羟基取代），C1到C4烷氧基，氨基和C1到C4烷基氨基取代，其中2或3个碳桥元素与烷基或烷氧基形成环戊烷，环己烷，五氢吡喃或四氢呋喃实体，其可以是烷基或羟基烷基取代的，并且每个R表示三碘化苯基残基，进一步取代了亲水性基团。本发明还涉及将这样的诊断组合物用作诊断成像中的造影剂，特别是在X射线成像中的造影剂，以及含有这些化合物的造影剂。
• HAAVALDSEN, J.;NORDAL, V.;KELLY, M., ACTA PHARM. SUEC., 1983, 20, N 3, 219-232
  作者：HAAVALDSEN, J.、NORDAL, V.、KELLY, M.

  DOI：——

  日期：——
• US8535642B2
  申请人：——

  公开号：US8535642B2

  公开（公告）日：2013-09-17
• [EN] CONTRAST AGENTS<br/>[FR] AGENTS DE CONTRASTE
  申请人：GE HEALTHCARE AS

  公开号：WO2009106551A3

  公开（公告）日：2009-11-12