2-mercapto-2-(1-methylethyl)-1,3-dioxolane | 135937-81-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氧戊环
• 英文名称: 2-mercapto-2-(1-methylethyl)-1,3-dioxolane
• 英文别名: 2-[1,3]dioxolan-2-yl-propane-2-thiol；2-(1,3-Dioxolan-2-yl)propane-2-thiol
• CAS: 135937-81-4
• 化学式: C₆H₁₂O₂S
• 分子量: 148.226
• InChiKey: LRKICDNAQMKNNF-UHFFFAOYSA-N

物化性质

• 沸点：
  199.9±15.0 °C(Predicted)
• 密度：
  1.101±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  19.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-溴-2-丁烯 、 2-mercapto-2-(1-methylethyl)-1,3-dioxolane 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以95%的产率得到2-<1-(trans-2-butenylthio)-1-methylethyl>-1,3-dioxolane
  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
• 作为产物：
  描述：

  2,2'-<1,1-dithiobis(1-methylethyl)>bis<1,3-dioxolane> 在 氨 、 sodium 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 以97%的产率得到2-mercapto-2-(1-methylethyl)-1,3-dioxolane
  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

• [EN] THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER<br/>[FR] DERIVES THIA-EPOTHILONE POUR LE TRAITEMENT DU CANCER
  申请人：MORPHOCHEM AG KOMB CHEMIE

  公开号：WO2004048372A1

  公开（公告）日：2004-06-10

  The present invention relates to new Macrocycles of formula (I) and their use for the treatment of cancer.

  本发明涉及公式（I）的新大环化合物及其在癌症治疗中的应用。
• Thia-epothilone derivatives for the treatment of cancer
  申请人：Richter Wolfgang

  公开号：US20060128966A1

  公开（公告）日：2006-06-15

  The present invention relates to new Macrocycles of formula (I) and their use for the treatment of cancer.

  本发明涉及公式（I）的新大环化合物及其用于治疗癌症的用途。
• Novel macrocycles for the treatment of cancer
  申请人：Hoefle Gerhard

  公开号：US20060004065A1

  公开（公告）日：2006-01-05

  The present invention relates to new Macro-cycles of Formula (I), and their use for the treatment of cancer.

  本发明涉及公式（I）的新大环化合物，以及它们在癌症治疗中的使用。
• MACROCYCLES FOR THE TREATMENT OF CANCER
  申请人：Gesellschaft fur Biotechnologische Forschung mbH (gbf)

  公开号：EP1521752B1

  公开（公告）日：2009-02-25
• THIA-EPOTHILONE DERIVATIVES FOR THE TREATMENT OF CANCER
  申请人：Richter, Wolfgang

  公开号：EP1567524B1

  公开（公告）日：2009-07-22