5,3'-Iod-3-methyl-DL-thyronin | 6893-08-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 5,3'-Iod-3-methyl-DL-thyronin
• 英文别名: 2-Amino-3-[4-(4-hydroxy-3-iodophenoxy)-3-iodo-5-methylphenyl]propanoic acid
• CAS: 6893-08-9
• 化学式: C₁₆H₁₅I₂NO₄
• 分子量: 539.108
• InChiKey: RWDZYQIFPJJBHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  92.8
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Thyroxine-containing compound analysis methods
  申请人：Purkayastha Subhasish

  公开号：US20070037286A1

  公开（公告）日：2007-02-15

  The present teachings provide methods for analyzing one or more thyroxine compounds in one or more samples using isobaric labels and parent-daughter ion transition monitoring (PDITM). In various embodiments, the methods comprise the steps of: (a) labeling one or more thyroxine compounds with different isobaric tags from a set of isobaric tags, each isobaric tag comprising a reporter ion portion; (b) combining at least a portion of each of the isobarically labeled thyroxine compounds to produce a combined sample; (c) subjecting at least a portion of the combined sample to PDITM; (d) measuring the ion signal of one or more of the transmitted reporter ions; and (e) determining the concentration of one or more of the isobarically labeled thyroxine compounds based at least on a comparison of the measured ion signal of the corresponding reporter ion to one or more measured ion signals of a standard compound.
• Methods for Simultaneous Quantification of Thyroid Hormones and Metabolites Thereof by Mass Spectrometry
  申请人：Soldin Steven J.

  公开号：US20140361156A1

  公开（公告）日：2014-12-11

  The invention provides methods for simultaneously detecting or simultaneously quantifying any combination of thyroxine (T 4 ), triiodothyronine (T 3 ), 3,3′-diiodo-L-thyronine (3,3′-T 2 ), 3-iodothyronamine (T 1 AM), and, optionally, reverse T 3 (rT 3 ) in a sample obtained from a human. The method involves a simple, sensitive, accurate, and specific isotope dilution tandem mass spectrometry method for the simultaneous quantification of any combination of T 4 , T 3 , 3,3′-T 2 , T 1 AM, and, optionally, rT 3 in a sample obtained from a human, e.g., in human plasma or serum samples. This assay is far more sensitive than previously described assays for thyronamines and allows quantitation of T 1 AM in human plasma or serum, including from healthy controls.
• US9012835B2
  申请人：——

  公开号：US9012835B2

  公开（公告）日：2015-04-21