4-Iodo-I(2),I(2)-dimethylbenzenepentadecanoic acid | 104426-55-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-Iodo-I(2),I(2)-dimethylbenzenepentadecanoic acid
• 英文别名: 15-(4-iodophenyl)-3,3-dimethylpentadecanoic acid
• CAS: 104426-55-3
• 化学式: C₂₃H₃₇IO₂
• 分子量: 472.4
• InChiKey: COJKCRQZSGYQAF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 重原子数：
  26
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• Method for monitoring blood flow and metabolic uptake in tissue with radiolabeled alkanoic acid
  申请人：Elmaleh David R.

  公开号：US20080206135A1

  公开（公告）日：2008-08-28

  The present invention relates to novel modified fatty acid analogs, where a positron or gamma-emitting label is placed at a position on a fatty acid backbone and an organic substituent is substituted at the 2,3; 3,4; 4,5; 5,6 and other sequence positions of a fatty acid backbone. These novel fatty acid analogs are designed to enter the tissues of interest by the same long chain fatty acid carrier mechanism as natural fatty acids, however, functional substituents in the 2,3; 3,4; 4,5; 5,6 and other sequence positions, block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest.

  本发明涉及一种新型的修饰脂肪酸类似物，其中在脂肪酸骨架的某个位置放置正电子或伽马发射标记，并在脂肪酸骨架的2,3; 3,4; 4,5; 5,6和其他序列位置上替换有机取代基。这些新型的脂肪酸类似物旨在通过与天然脂肪酸相同的长链脂肪酸载体机制进入感兴趣的组织，但是，在2,3; 3,4; 4,5; 5,6和其他序列位置上的功能性取代基会阻止分解途径，从而将这些类似物困在感兴趣的组织中，形式上基本上未经修改。
• METHOD FOR MONITORING BLOOD FLOW AND METABOLIC UPTAKE IN TISSUE WITH RADIOLABELED ALKANOIC ACID
  申请人：Elmaleh David R.

  公开号：US20090156848A1

  公开（公告）日：2009-06-18

  The present invention relates to novel modified fatty acid analogs, where a positron or gamma-emitting label is placed at a position on a fatty acid backbone and an organic substituent is substituted at the 2,3; 3,4; 4,5; 5,6 and other sequence positions of a fatty acid backbone. These novel fatty acid analogs are designed to enter the tissues of interest by the same long chain fatty acid carrier mechanism as natural fatty acids, however, functional substituents in the 2,3; 3,4; 4,5; 5,6 and other sequence positions, block the catabolic pathway, thus trapping these analogs in a virtually unmodified form in the tissues of interest.

  本发明涉及新型修饰脂肪酸类似物，其中在脂肪酸骨架的某个位置放置正电子或伽马发射标记，并在脂肪酸骨架的2,3；3,4；4,5；5,6和其他序列位置上取代有机取代基。这些新型脂肪酸类似物的设计是通过与天然脂肪酸相同的长链脂肪酸载体机制进入感兴趣的组织，但是在2,3；3,4；4,5；5,6和其他序列位置上的功能性取代基阻塞了分解途径，从而在感兴趣的组织中将这些类似物困住，使其处于几乎未经修改的形式。
• EP1622602A4
  申请人：——

  公开号：EP1622602A4

  公开（公告）日：2006-06-21
• PET RADIOTRACERS FOR IMAGING FATTY ACID METABLOLISM AND STORAGE
  申请人：Washington University

  公开号：EP2427218A2

  公开（公告）日：2012-03-14
• PET RADIOTRACERS FOR IMAGING FATTY ACID METABOLISM AND STORAGE
  申请人：Mach Robert H.

  公开号：US20120100073A1

  公开（公告）日：2012-04-26

  Fatty acid analogue (FAA) molecules comprising positron-emitting radionuclides, salts thereof, and FAA-triglycerides are disclosed. Also disclosed are methods of synthesis, and methods of imaging distribution and metabolism of fatty acids and fatty acid triglycerides.