2-[3-(丁酰基氨基)-2,4,6-三碘苄基]丁酸 | 27293-82-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 中文名称: 2-[3-(丁酰基氨基)-2,4,6-三碘苄基]丁酸
• 英文名称: Tyropanoesaeure
• 英文别名: 2-Aethyl-3-<2,4,6-trijod-3-butyrylamino-phenyl>-propionsaeure；2-[3-(butyrylamino)-2,4,6-triiodobenzyl]butyric acid；Tyropanic acid；2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoic acid
• CAS: 27293-82-9
• 化学式: C₁₅H₁₈I₃NO₃
• 分子量: 641.026
• InChiKey: YMOXVLQZFAUUKI-UHFFFAOYSA-N

物化性质

• 熔点：
  172-185.5 °C
• 沸点：
  608.7±55.0 °C(Predicted)
• 密度：
  2.143±0.06 g/cm3(Predicted)
• 溶解度：
  slightly water soluble

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

ADMET

代谢

在肝脏与葡萄糖醛酸结合。

Conjugated with glucuronic acid in the liver.

来源:DrugBank

毒理性

• 蛋白质结合

不足5%。

Less than 5 %.

来源:DrugBank

吸收、分配和排泄

• 吸收

这种三碘化物在小肠中被很好地吸收，并且在口服给药后2小时内通过胆汁排出。研究发现，它在摄入后10-12小时显示出最佳的放射性显影，但这一情况最早可能在4-6小时就发生。

This triiodide is well absorbed by the small intestine and it is excreted in the bile within 2 h after oral administration. It has been found to be readily absorbed and show maximal radiographic definition at 10-12 h post ingestion, but this can occur as early as 4-6h.

来源:DrugBank

吸收、分配和排泄

• 消除途径

在摄入后100小时内迅速排入胆汁，并在尿液中等量排出。

Rapidly excreted into the bile and equally excreted in the urine and feces within 100h of ingestion.

来源:DrugBank

安全信息

• 海关编码：
  2924299090

文献信息

• Novel targeted compositions for diagnostic and therapeutic use
  申请人：——

  公开号：US20020159951A1

  公开（公告）日：2002-10-31

  Novel targeted compositions which may be used for diagnostic and therapeutic use. The compositions may comprise lipid, protein or polymer gas-filled vesicles which further comprise novel compounds of the general formula L-P-T, wherein L comprises a hydrophobic compound, P comprises a hydrophilic polymer, and T comprises a targeting ligand which targets tissues, cells or receptors, including myocardial cells, endothelial cells, epithelial cells, tumor cells and the glycoprotein GPIIbIIIa receptor. The compositions can be used in conjunction with diagnostic imaging, such as ultrasound, as well as therapeutic applications, such as therapeutic ultrasound.

  这是一种可用于诊断和治疗的新型靶向组合物。该组合物可能包含脂质、蛋白质或聚合物气体充填的囊泡，进一步包括一般式为L-P-T的新化合物，其中L包括疏水化合物，P包括亲水性聚合物，T包括靶向配体，可靶向组织、细胞或受体，包括心肌细胞、内皮细胞、上皮细胞、肿瘤细胞和糖蛋白GPIIbIIIa受体。该组合物可与诊断成像技术（如超声）以及治疗应用（如治疗性超声）结合使用。
• Radiopaque cyanoacrylate compositions
  申请人：BioNexus, Inc.

  公开号：EP0050457A1

  公开（公告）日：1982-04-28

  Radiopaque cyanoacrylate compositions for use in industrial and medical applications, e.g. to form welds, seams or plugs, comprise a cyanoacrylate monomer and a radiopaque additive stable to the monomer. The additives may be organic iodo compounds or certain cyanoacrylate stable inorganic compounds. Organic iodoacids can serve the additional function of an anionic inhibitor for the monomer. The compositions may be inspected in situ with X-rays.

  不透射线的氰基丙烯酸酯组合物用于工业和医疗应用，例如用于形成焊缝、接缝或塞子，由氰基丙烯酸酯单体和对单体稳定的不透射线添加剂组成。添加剂可以是有机碘化合物或某些对氰基丙烯酸酯稳定的无机化合物。有机碘酸还可作为单体的阴离子抑制剂。可以用 X 射线对组合物进行现场检测。
• Contrast media
  申请人：NYCOMED IMAGING AS

  公开号：EP0414288A1

  公开（公告）日：1991-02-27

  There is provided a contrast medium comprising a physiologically tolerable paramagnetic metal species containing substance together with a water soluble iodinated X-ray contrast agent.

  本文提供了一种造影剂，它由一种生理上可耐受的顺磁性金属物质和一种水溶性碘化 X 射线造影剂组成。
• Particulate contrast media
  申请人：NYCOMED IMAGING AS

  公开号：EP0414287A1

  公开（公告）日：1991-02-27

  There is provided a magnetic resonance contrast medium comprising magnetically responsive particles and a physiologically tolerable osmoactive agent.

  提供了一种磁共振造影剂，它由磁响应颗粒和生理上可耐受的渗透剂组成。
• GPIb-LIPID COMPLEX AND USES THEREOF
  申请人：YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD.

  公开号：EP0894807A1

  公开（公告）日：1999-02-03

  A complex comprising GPIb and a lipid having a functional group. As it can bind with vWF and can form aggregates, it is useful as a platelet substitute, medicines for preventing and curing vascular lesion, vascular injury and thrombosis, a diagnostic agent for vWF deficiency, biological-medical reagents, and reagents for screening platelet aggregation inhibitors and antithrombotic agents. Also, as it is apt to specifically concentrate around the lesioned vascular parts, it is useful as diagnostic agents for testing vascular lesion, injured parts and thrombosed parts or remedies therefor.

  一种由 GPIb 和具有官能团的脂质组成的复合物。由于它能与 vWF 结合并形成聚集体，因此可用作血小板替代物、预防和治疗血管病变、血管损伤和血栓形成的药物、vWF 缺乏症的诊断剂、生物医学试剂以及筛选血小板聚集抑制剂和抗血栓药物的试剂。此外，由于它容易特异性地集中在血管病变部位周围，因此可用作检测血管病变、损伤部位和血栓形成部位的诊断剂或治疗剂。