Daabd-AE

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并恶二唑类
• 英文名称: Daabd-AE
• 英文别名: 7-(2-aminoethylamino)-N-[2-(dimethylamino)ethyl]-2,1,3-benzoxadiazole-4-sulfonamide
• 化学式: C₁₂H₂₀N₆O₃S
• 分子量: 328.39
• InChiKey: QKTBJERNSIEPPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  22
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  135
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• METHYLCITRATE ANALYSIS IN DRIED BLOOD SPOTS
  申请人：Al-Dirbashi Osama

  公开号：US20160033522A1

  公开（公告）日：2016-02-04

  There is provided a method of measuring methylcitrate (MCA) in a sample by derivatizing the MCA, for example with 4-[2-(N,N-dimethylamino)ethylaminosulfonyl]-7-(2-aminoethylamino)-2,1,3-benzoxadiazole (DAABD-AE); measuring a level of the derivatized MCA; and determining the level of MCA from the measured level. The sample may be a dried blood spot (DBS), and the extraction and derivatization may be carried out simultaneously. No separate extraction or purification step is required, thereby reducing sample handling. Measuring may be carried out by mass spectrometry. The method may be used to screen for subjects having or at increased risk of a propionylcarnitine (C3) related disorder. The method may be used as a first tier screen, or as a second tier test for a sample that previously triggered a positive result in a primary screen. The method may be applied to newborn screening. Related kits and uses are also provided.