2-<(cyclopropylmethyl)thio>-2-methylpropanal | 135937-99-4

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-<(cyclopropylmethyl)thio>-2-methylpropanal
• 英文别名: 2-cyclopropylmethylthio-2-methylpropanal；2-(cyclopropylmethylsulfanyl)-2-methylpropanal
• CAS: 135937-99-4
• 化学式: C₈H₁₄OS
• 分子量: 158.265
• InChiKey: AXEGUSXFJUEPEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  42.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-<(cyclopropylmethyl)thio>-2-methylpropanal 、 N-(2-mercapto-2-methylpropyl)-1,2-benzenediamine 以to yield 0.63 g (85%) of 1-(2-cyclopropylmethylthio-2-methylpropylamino)-2-(2-mercapto-2-methylpropylamino)benzene as an oily product的产率得到N¹-<2-<(cyclopropylmethyl)thio>-2-methylpropyl>-N²-(2-mercapto-2-methylpropyl)-1,2-benzenediamine
  参考文献：
  名称：

  Hydrocarbylphenyl diaminodithiol derivatives

  摘要：

  一种用于成像器官的代理物，使用具有苯环的放射性金属与两个2-巯基-2-甲基丙基氨基取代基的放射性配合物，其中这些巯基取代基之一被烃基取代。

  公开号：

  US05026913A1
• 作为产物：
  描述：

  2-<1-<(cyclopropylmethyl)thio>-1-methylethyl>-1,3-dioxolane 在 盐酸 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以98%的产率得到2-<(cyclopropylmethyl)thio>-2-methylpropanal
  参考文献：
  名称：

  Structure-activity relationship of 99mTc complexes of phenylenediamine-thiol-thioether ligands (PhAT) to brain uptake in rats

  摘要：

  A novel class of ligands, phenylenediamine-thiol-thioether (PhAT), was synthesized, and their Tc-99m complexes were evaluated for potential use as a functional brain imaging agent. The ligands reacted with (NaTcO4)-Tc-99m and SnCl2 to form single, stable, neutral, and lipophilic Te-99m complexes. Several of these complexes showed significant brain uptake and retention in rats. In particular, the S-ethyl, allyl, and propargyl derivatives had high initial brain uptake (0.88, 0.99, and 0.82% dose/g at 5 min, respectively) and good retention (0.71, 0.75, and 0.67% dose/g at 30 min). The structure-activity relationship of alkyl, alkenyl, and alkynyl thioether derivatives is reported.

  DOI：

  10.1021/jm00053a010

文献信息

• Hydrocarbylphenyl diaminodithiol derivatives
  申请人：Medi-Physics, Inc.

  公开号：US05026913A1

  公开（公告）日：1991-06-25

  An agent for imaging organs using a radioactive complex of a radioactive metal with a benzene ring having two 2-mercapto-2-methylpropylamino substitutents where one of these mercapto substituents is substituted with a hydrocarbyl group.

  使用带有苯环的放射性金属的放射性复合物成像器官的代理，其中带有两个2-巯基-2-甲基丙基氨基取代基的其中一个巯基取代基被烃基取代。
• Hydrocarbylphenyl diaminodithiol radionuclide complexes and their use in
  申请人：Medi-Physics, Inc.

  公开号：US05080884A1

  公开（公告）日：1992-01-14

  An agent for imaging organs using a radioactive complex of a radioactive metal with a benzene ring having two 2-mercapto-2-methylpropylamino substituents where one of these mercapto substituents is substituted with a hydrocarbyl group.

  一种用于成像器官的代理物，其为一种放射性金属与苯环的放射性配合物，其中具有两个2-巯基-2-甲基丙基氨基取代基，其中一个巯基取代基被烃基取代。
• US5026913A
  申请人：——

  公开号：US5026913A

  公开（公告）日：1991-06-25
• US5080884A
  申请人：——

  公开号：US5080884A

  公开（公告）日：1992-01-14
• Structure-activity relationship of 99mTc complexes of phenylenediamine-thiol-thioether ligands (PhAT) to brain uptake in rats
  作者：Bill J. McBride、Ronald M. Baldwin、Janice M. Kerr、Jiann Long Wu、Lisa M. Schultze、Nilda E. Salazar、James M. Chinitz、Edmund F. Byrne

  DOI：10.1021/jm00053a010

  日期：1993.1

  A novel class of ligands, phenylenediamine-thiol-thioether (PhAT), was synthesized, and their Tc-99m complexes were evaluated for potential use as a functional brain imaging agent. The ligands reacted with (NaTcO4)-Tc-99m and SnCl2 to form single, stable, neutral, and lipophilic Te-99m complexes. Several of these complexes showed significant brain uptake and retention in rats. In particular, the S-ethyl, allyl, and propargyl derivatives had high initial brain uptake (0.88, 0.99, and 0.82% dose/g at 5 min, respectively) and good retention (0.71, 0.75, and 0.67% dose/g at 30 min). The structure-activity relationship of alkyl, alkenyl, and alkynyl thioether derivatives is reported.