pyrimidin-4-ylsulfanyl-acetic acid methyl ester | 64679-74-9

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: pyrimidin-4-ylsulfanyl-acetic acid methyl ester
• 英文别名: Methyl 2-pyrimidin-4-ylsulfanylacetate
• CAS: 64679-74-9
• 化学式: C₇H₈N₂O₂S
• 分子量: 184.219
• InChiKey: VVBAXAOFBYUPGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  pyrimidin-4-ylsulfanyl-acetic acid methyl ester 、 肼 以90%的产率得到
  参考文献：
  名称：

  VAJNILAVICHYUS P. I.; LAUCHIS V. S.; MUSHKAUSKAJTE M. S.; YASINSKAS L. L., ZH. BCEC. XIM. O-BA IM. D. I.

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯嘧啶 、 巯基乙酸甲酯 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 pyrimidin-4-ylsulfanyl-acetic acid methyl ester
  参考文献：
  名称：

  N-Acylhydrazones as inhibitors of PDE10A

  摘要：

  Cyclic nucleotide phosphodiesterases (PDEs) are represented by a large superfamily of enzymes. A series of hydrazone-based inhibitors was synthesized and shown to be novel, potent, and selective against PDE10A. Optimized compounds of this class were efficacious in animal models of schizophrenia and may be useful for the treatment of this disease. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.100

文献信息

• VAJNILAVICHYUS P. I.; LAUCHIS V. S.; MUSHKAUSKAJTE M. S.; YASINSKAS L. L., ZH. BCEC. XIM. O-BA IM. D. I.
  作者：VAJNILAVICHYUS P. I.、 LAUCHIS V. S.、 MUSHKAUSKAJTE M. S.、 YASINSKAS L. L.

  DOI：——

  日期：——
• N-Acylhydrazones as inhibitors of PDE10A
  作者：Jennifer L. Gage、Rene Onrust、Derek Johnston、Andrew Osnowski、Wendy MacDonald、Lee Mitchell、László Ürögdi、Alex Rohde、Kevin Harbol、Sasha Gragerov、György Dormán、Tom Wheeler、Vince Florio、Neil S. Cutshall

  DOI：10.1016/j.bmcl.2011.05.100

  日期：2011.7

  Cyclic nucleotide phosphodiesterases (PDEs) are represented by a large superfamily of enzymes. A series of hydrazone-based inhibitors was synthesized and shown to be novel, potent, and selective against PDE10A. Optimized compounds of this class were efficacious in animal models of schizophrenia and may be useful for the treatment of this disease. (C) 2011 Elsevier Ltd. All rights reserved.