碘喷托 | 89797-00-2

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 碘喷托
• 英文名称: N,N'-bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxy-3-methoxypropyl)acetamido]-2,4,6-triiodoisophthalamide
• 英文别名: N,N'-bis(2,3-dihydroxypropyl)-5--2,4,6-triiodoisophthalamide；iopentol；Imagopaque；5-[acetyl-(2-hydroxy-3-methoxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
• CAS: 89797-00-2
• 化学式: C₂₀H₂₈I₃N₃O₉
• 分子量: 835.171
• InChiKey: IUNJANQVIJDFTQ-UHFFFAOYSA-N

物化性质

• 沸点：
  858.8±65.0 °C(Predicted)
• 密度：
  2.095±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO（少许）、甲醇（少许）、水（少许）

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  35
• 可旋转键数：
  13
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  189
• 氢给体数：
  7
• 氢受体数：
  9

安全信息

• WGK Germany：
  1
• 储存条件：
  -20°C，密闭保存，置于干燥处

制备方法与用途

iOpental是一种非离子型血管内造影剂。

反应信息

• 作为产物：
  描述：

  (甲氧基甲基)环氧乙烷 、 5-(乙酰氨基)-N,N'-双(2,3-二羟基丙基)-2,4,6-三碘-1,3-苯二甲酰胺 在 硼酸 、 potassium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 生成 碘喷托
  参考文献：
  名称：

  A Selective Process for N-Alkylation in Competition with O-Alkylation:  Boric Acid, Borax, and Metaborate as a Cheap and Effective Protecting Group Applicable for Industrial-Scale Synthetic Processes

  摘要：

  This paper describes a selective process for the N-alkylation of substrates that contain 1,2-diol groups. The developed approach utilises temporary protection of the diol groups by boric acid, Borax, or metaborate. The introduction of the boron-containing groups into the substrate may provide, in addition to affording the intended protection of the hydroxyl groups that may otherwise act as nucleophilic sites, the advantages of improved solubility of the substrate in water that is used as solvent. Moreover the N-alkylation and the deprotection of the diols are performed in one pot, and the formation of undesired O-alkylated by-products is significantly reduced. The paper gives examples from the synthesis of several X-ray contrast agents used in medical imaging diagnostics: iohexol (Ominipaque, Nycomed Imaging); iopentol (Imagopaque, Nycomed Imaging); iodixanol (Visipaque, Nycomed Imaging); ioversol (Optiray, Mallinckrodt).

  DOI：

  10.1021/op000134x

文献信息

• [EN] AFFINITY-ASSISTED PROTEIN MODIFICATION AND RECYCLING<br/>[FR] MODIFICATION ET RECYCLAGE DE PROTÉINES BASÉS SUR LEUR AFFINITÉ
  申请人：UNIV CALIFORNIA

  公开号：WO2016118770A1

  公开（公告）日：2016-07-28

  The present invention provides methods for preparing a protein conjugate having a defined number of conjugate groups. The method includes: forming a mixture containing a macrocyclic matrix material and a plurality of proteins; eluting the proteins from the macrocyclic matrix material to obtain a first separated protein fraction and a second separated protein fraction, wherein substantially all of the proteins in the first separated protein fraction have the same number of handle moieties; contacting the handle moieties with a conversion reagent under conditions sufficient to convert the handle moieties in the first separated protein fraction to reactive moieties; and contacting the reactive moieties with a conjugation reagent under conditions sufficient to form a plurality of protein conjugates, wherein substantially all of the protein conjugates in the plurality have the same number of conjugate groups. Also disclosed are methods for recovering enzymes and other proteins from mixtures for isolation and/or reuse of the enzymes and proteins.

  本发明提供了制备具有定义数量结合基团的蛋白共轭物的方法。该方法包括：形成含有大环矩阵材料和多种蛋白质的混合物；从大环矩阵材料中洗脱蛋白质，以获得第一分离的蛋白质分数和第二分离的蛋白质分数，其中第一分离的蛋白质分数中几乎所有蛋白质具有相同数量的手柄基团；将手柄基团与转化试剂接触，在足以将第一分离的蛋白质分数中的手柄基团转化为反应性基团的条件下；将反应性基团与结合试剂接触，在足以形成多种蛋白共轭物的条件下，其中多数蛋白共轭物具有相同数量的结合基团。还公开了从混合物中回收酶和其他蛋白质以便分离和/或重复使用酶和蛋白质的方法。
• [EN] PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143144A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
• [EN] HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2012143143A1

  公开（公告）日：2012-10-26

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体的化合物的新颖化合物（I）的公式。这些化合物在治疗各种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和与激素相关的疾病。
• NANOPARTICLE PEG MODIFICATION WITH H-PHOSPHONATES
  申请人：Rogers Thomas E.

  公开号：US20130066086A1

  公开（公告）日：2013-03-14

  The present invention provides phosphonate conjugates and methods of preparing the phosphonate conjugates so as to allow, for example, improved methods and compounds for modifying the surface of a nanoparticle to increase in vivo circulation times and targeted delivery performance.

  本发明提供了膦酸酯共轭物及其制备方法，以便例如改进方法和化合物来修改纳米颗粒的表面，从而增加体内循环时间和靶向传递性能。
• Radio-opaque compounds, compositions containing same and methods of their synthesis and use
  申请人：Pathak P. Chandrashekhar

  公开号：US20050036946A1

  公开（公告）日：2005-02-17

  Radio-opaque biodegradable compositions are formed by modifying terminal groups of synthetic and natural biodegradable polymers such as polylactones with iodinated moieties. The biodegradable property of the compositions renders them suitable for use in medical field such as drug delivery, imaging. Compounds disclosed in this invention exist as neat liquid. Certain compositions disclosed in this invention form hydrophobic iodine rich domains when dissolved in water, such domains provide better contrasting properties as well as ability to dissolve hydrophobic bioactive drugs. Certain iodinated moieties disclosed in the invention are capable of cross linking natural proteins in situ in presence of suitable catalysts and co-catalysts.

  放射不透明的可生物降解组合物是通过修改合成和天然可生物降解聚合物（如聚乳酸酯）的末端基团与碘化基团形成的。这些组合物的生物降解性使它们适用于医疗领域，如药物输送、成像等用途。本发明中披露的化合物存在于纯净液体中。本发明中披露的某些组合物在水中溶解时形成疏水碘富区域，这些区域提供更好的对比性能以及溶解疏水生物活性药物的能力。本发明中披露的某些碘化基团能够在适当催化剂和共催化剂存在的情况下交联天然蛋白质。