3-甲基-2-(甲基亚氨基)噻唑烷 | 121215-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 3-甲基-2-(甲基亚氨基)噻唑烷
• 中文别名: 乙醛，(4-甲基-5-氧代-2-恶唑啉亚基)-(9CI)
• 英文名称: 3-methyl-2-(methylimino)thiazolidine
• 英文别名: methyl-(3-methyl-thiazolidin-2-ylidene)-amine；N,3-dimethyl-1,3-thiazolidin-2-imine
• CAS: 121215-88-1
• 化学式: C₅H₁₀N₂S
• 分子量: 130.214
• InChiKey: NIXBOTVPKCPJTL-UHFFFAOYSA-N

物化性质

• 沸点：
  57-59 °C(Press: 0.8 Torr)
• 密度：
  1.0955 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  40.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(2-hydroxyethyl)-N,N'-dimethylthiourea 在 六乙基亚磷酸胺 作用下， 反应 0.58h， 以93%的产率得到3-甲基-2-(甲基亚氨基)噻唑烷
  参考文献：
  名称：

  Mizrakh, L. I.; Polonskaya, L. Yu.; Gvozdetskii, A. N., Journal of general chemistry of the USSR, 1988, vol. 58, # 10, p. 1999 - 2003

  摘要：

  DOI：

文献信息

• Cyclic amidine inhibitors of indolamine N-methyltransferase
  作者：Joshua Rokach、Pierre Hamel、Norman R. Hunter、Grant Reader、Clarence S. Rooney、Paul S. Anderson、Edward J. Cragoe、Lewis R. Mandel

  DOI：10.1021/jm00189a004

  日期：1979.3

  Syntheses of a large number of mono- and bicyclic, as well as a few tricyclic, amidine derivatives related to 2,3,4,6,7,8,-hexahydropyrrolo[1,2-a]pyrimidine (DBN) are reported. In vitro potencies for inhibition of the enzyme indolamine N-methyltransferase (INMT) from rabbit and human lung are presented. Four bicyclic amidine derivatives and 11 monocyclic derivatives were found to be equal or superior to DBN in in vitro potencies. With the bicyclic amidines, increasing ring size or introduction of substituents reduced activity. Among the monocyclic analogues, the most potent representatives were five- or six-membered systems with an exocyclic imino group, combined with methyl of ethyl substituents on the endocyclic nitrogen. Introduction of additonal substituents decreased inhibitory potency. 2,3,5,6-Tetrahydro-8H-imidazo[2,1-c][1,4]thiazine and 3-methyl-2-iminothiazolidine have been shown to cause inhibition of lung INMT when administered orally to rabbits.
• Mizrakh, L. I.; Polonskaya, L. Yu.; Gvozdetskii, A. N., Journal of general chemistry of the USSR, 1988, vol. 58, # 10, p. 1999 - 2003
  作者：Mizrakh, L. I.、Polonskaya, L. Yu.、Gvozdetskii, A. N.、Vasil'ev, A. M.、Karpunina, L. B.

  DOI：——

  日期：——