(2R,3R)-2,3-二羟基丁二酸;3-己氧基-4-(1-甲基-3,6-二氢-2H-吡啶-5-基)-1,2,5-噻二唑 | 152854-19-8

• 物质功能分类: 原料药 - 循环系统用药 - 抗高血压病药
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (2R,3R)-2,3-二羟基丁二酸;3-己氧基-4-(1-甲基-3,6-二氢-2H-吡啶-5-基)-1,2,5-噻二唑
• 英文名称: xanomeline tartrate
• 英文别名: (2R,3R)-2,3-dihydroxybutanedioic acid;3-hexoxy-4-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-1,2,5-thiadiazole
• CAS: 152854-19-8
• 化学式: C₄H₆O₆*C₁₄H₂₃N₃OS
• 分子量: 431.51
• InChiKey: SJSVWTMVMBGIHQ-LREBCSMRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.09
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  182
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  disodium pamoate 、 (2R,3R)-2,3-二羟基丁二酸;3-己氧基-4-(1-甲基-3,6-二氢-2H-吡啶-5-基)-1,2,5-噻二唑 以 甲醇 、 水 为溶剂， 以92.5%的产率得到xanomeline pamoate
  参考文献：
  名称：

  CN114853750

  摘要：

  公开号：
• 作为产物：
  描述：

  3-吡啶乙酰腈,a-羟基- 在 二氯化二硫 、 ammonium hydroxide 、 sodium tetrahydroborate 、 sodium hydride 、 氯化铵 作用下， 以 四氢呋喃 、 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 丙酮 、 mineral oil 为溶剂， 反应 50.67h， 生成 (2R,3R)-2,3-二羟基丁二酸;3-己氧基-4-(1-甲基-3,6-二氢-2H-吡啶-5-基)-1,2,5-噻二唑
  参考文献：
  名称：

  CN114853750

  摘要：

  公开号：

文献信息

• [EN] GEL FORMULATIONS FOR ENHANCING THE EFFECT OF RADIOTHERAPY<br/>[FR] FORMULATIONS DE GEL POUR AMÉLIORER L'EFFET DE RADIOTHÉRAPIE
  申请人：UNIV DENMARK TECH DTU

  公开号：WO2016079331A1

  公开（公告）日：2016-05-26

  The present invention relates to a composition comprising: a. non-water soluble carbohydrates b. a contrast agent for imaging, wherein at least 60% of the contrast agent remains within 10 cm from the injection site after 24h, for use in local co-administration into a human or animal body, and wherein the composition is a liquid before administration into the human or animal body and increases in viscosity by more than 1,000 centipoise (cP) after administration.

  本发明涉及一种包含以下成分的组成物：a. 非水溶性碳水化合物 b. 成像的对比剂，其中至少60%的对比剂在24小时后保持在注射部位10厘米范围内，用于在人体或动物体内局部共同给药，并且该组成物在给药前为液态，在给药后在粘度上增加超过1,000厘泊（cP）。
• [EN] CONTRAST AGENTS<br/>[FR] AGENTS DE CONTRASTE
  申请人：GE HEALTHCARE AS

  公开号：WO2009060021A1

  公开（公告）日：2009-05-14

  Compounds of formula (I) RA-CO-N(R2)-(CR12)n-N(R5)-RB and salts or optical active isomers thereof, wherein each R1 independently are the same or different and denotes a hydrogen atom, a hydroxyl group, a C1 to C4 straight of branched alkyl group or a C1 to C4 straight of branched oxyalkyl group; R2 denotes a hydrogen atom or a C1 to C4 straight of branched alkyl group; R5 independently are the same or different and denotes a acyl moiety; RA and RB independently are the same or different and denote a triiodinated phenyl group, preferably a 2,4,6-triiodinated phenyl group further substituted by two groups R3 in the 3 and 5 positions wherein each R3 are the same or different and denote a hydrogen atom or a non-ionic hydrophilic moiety, provided that at least one R3 group in the compound of formula (I) is a hydrophilic moiety; and n denotes a positive integer of 1 to 6. 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.

  式(I)的化合物RA-CO-N(R2)-(CR12)n-N(R5)-RB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、羟基、C1到C4的直链或支链烷基或C1到C4的直链或支链氧烷基；R2表示氢原子或C1到C4的直链或支链烷基；R5独立地相同或不同，并表示酰基；RA和RB独立地相同或不同，并表示三碘苯基，优选为在3和5位进一步取代两个R3基团的2,4,6-三碘苯基，其中每个R3相同或不同，并表示氢原子或非离子亲水基团，但化合物中至少有一个R3基团是亲水基团；n表示1到6的正整数。本发明还涉及将这种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，以及含有这种化合物的造影剂。
• [EN] PREPARATION OF INTERMEDIATES OF X-RAY CONTRAST AGENTS<br/>[FR] PRÉPARATION D'INTERMÉDIAIRES D'AGENTS DE CONTRASTE DE RAYONS X
  申请人：GE HEALTHCARE AS

  公开号：WO2014074315A1

  公开（公告）日：2014-05-15

  The present invention relates to a process for the preparation of iodinated X-ray contrast agents and in particular to key intermediates thereof. It particularly relates to an improved process for preparation of 5-acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide (Compound A) or N,N'-bis(2,3-dihydroxypropyl)-5-formamido-2,4,6-triiodoisophthalamide (Compound C), which are intermediates in the industrial preparation of non-ionic X-ray contrast agents. More particularly the invention provides a process for deacylation of the acylated hydroxyl groups of an intermediate compound of Compound A and Compound C.

  本发明涉及碘化X射线造影剂的制备方法，特别是涉及其关键中间体的制备方法。本发明特别涉及一种改进的制备5-乙酰氨基-N,N'-双(2,3-二羟丙基)-2,4,6-三碘异酞酰胺（化合物A）或N,N'-双(2,3-二羟丙基)-5-甲酰氨基-2,4,6-三碘异酞酰胺（化合物C）的方法，这两种化合物是工业制备非离子型X射线造影剂的中间体。更具体地，本发明提供了一种用于脱除化合物A和化合物C中间体中羰基化羟基的工艺。
• Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients
  申请人：Rogers D. Robin

  公开号：US20070093462A1

  公开（公告）日：2007-04-26

  Disclosed are ionic liquids and methods of preparing ionic liquid compositions of active pharmaceutical, biological, nutritional, and energetic ingredients. Also disclosed are methods of using the compositions described herein to overcome polymorphism, overcome solubility and delivery problems, to control release rates, add functionality, enhance efficacy (synergy), and improve ease of use and manufacture.

  揭示了离子液体及制备活性药物、生物、营养和能量成分的离子液体组合物的方法。还揭示了利用本文描述的组合物的方法，以克服多型性、克服溶解度和输送问题、控制释放速率、增加功能性、增强功效（协同作用）以及改善易用性和制造工艺。
• Contrast Agents
  申请人：Priebe Hanno

  公开号：US20070189971A1

  公开（公告）日：2007-08-16

  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 a cyanuric acid scaffolding moiety allowing for the arrangement of three iodinated phenyl groups bound thereto. 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以及含有此类化合物的诊断组合物，其中所述化合物是含碘化合物。更具体地，所述含碘化合物是含有三聚氰酸骨架部分的化学化合物，该骨架部分允许三个碘化的苯基团与之结合。本发明还涉及将此类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，以及含有此类化合物的造影介质。