(S)-methyl 2-sulfanylpropionate | 132958-63-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (S)-methyl 2-sulfanylpropionate
• 英文别名: (S)-Methyl 2-mercaptopropionate；Methyl 2-mercaptopropionate, (S)-；methyl (2S)-2-sulfanylpropanoate
• CAS: 132958-63-5
• 化学式: C₄H₈O₂S
• 分子量: 120.172
• InChiKey: SNWKNPMDQONHKK-VKHMYHEASA-N

物化性质

• 沸点：
  149.3±13.0 °C(Predicted)
• 密度：
  1.068±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  27.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-chloro-3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine 、 (S)-methyl 2-sulfanylpropionate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 methyl (2S)-2-[(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]propanoate
  参考文献：
  名称：

  Triazolopyridazine LRRK2 kinase inhibitors

  摘要：

  Leucine-rich repeat kinase 2 (LRRK2) has been implicated in the pathogenesis of Parkinson's disease (PD). Inhibition of LRRK2 kinase activity is a therapeutic approach that may lead to new treatments for PD. Herein we report the discovery of a series of [1,2,4]triazolo[4,3-b]pyridazines that are potent against both wild-type and mutant LRRK2 kinase activity in biochemical assays and show an unprecedented selectivity towards the G2019S mutant. A structural rational for the observed selectivity is proposed. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.043
• 作为产物：
  描述：

  methyl 2-(acetylsulfanyl)propionate 在 氢气 作用下， 以 甲醇 为溶剂， 生成 methyl (R)‐2‐sulfanylpropanoate 、 (S)-methyl 2-sulfanylpropionate
  参考文献：
  名称：

  Tanabe, Yoo; Yamamoto, Hitomi; Murakami, Masanari, Journal of the Chemical Society. Perkin transactions I, 1995, # 7, p. 935 - 948

  摘要：

  DOI：

文献信息

• Structure-activity relationship of optically active 2-(3-pyridyl)thiazolidin-4-ones as a PAF antagonists
  作者：Y. Tanabe、G. Suzukamo、Y. Komuro、N. Imanishi、S. Morooka、M. Enomoto、A. Kojima、Y. Sanemitsu、M. Mizutani

  DOI：10.1016/s0040-4039(00)92633-9

  日期：1991.1

  Two sets of optically active 5-substituted-2-(3-pyridyl)thiazolidin-4-ones, highly potent and selective antagonists of platelet activating factor (PAF), displayed apparently different anti-PAF activities between their enantiomers, wherein these activities depend markedly on the absolute configuration of the 2-position in the thiazolidin-4-ones.

  两组光学活性5-取代的-2-（3-吡啶基）噻唑烷酮-4-酮是血小板活化因子（PAF）的强效和选择性拮抗剂，它们的对映异构体之间表现出明显不同的抗PAF活性，其中这些活性取决于明显地位于噻唑烷-4-酮中2-位的绝对构型上。
• WO2007/36730
  申请人：——

  公开号：——

  公开（公告）日：——
• Tanabe, Yoo; Yamamoto, Hitomi; Murakami, Masanari, Journal of the Chemical Society. Perkin transactions I, 1995, # 7, p. 935 - 948
  作者：Tanabe, Yoo、Yamamoto, Hitomi、Murakami, Masanari、Yanagi, Kazunori、Kubota, Yoshino、et al.

  DOI：——

  日期：——
• Triazolopyridazine LRRK2 kinase inhibitors
  作者：Maurizio Franzini、Xiaocong M. Ye、Marc Adler、Danielle L. Aubele、Albert W. Garofalo、Shawn Gauby、Erich Goldbach、Gary D. Probst、Kevin P. Quinn、Pam Santiago、Hing L. Sham、Danny Tam、Anh Truong、Zhao Ren

  DOI：10.1016/j.bmcl.2013.02.043

  日期：2013.4

  Leucine-rich repeat kinase 2 (LRRK2) has been implicated in the pathogenesis of Parkinson's disease (PD). Inhibition of LRRK2 kinase activity is a therapeutic approach that may lead to new treatments for PD. Herein we report the discovery of a series of [1,2,4]triazolo[4,3-b]pyridazines that are potent against both wild-type and mutant LRRK2 kinase activity in biochemical assays and show an unprecedented selectivity towards the G2019S mutant. A structural rational for the observed selectivity is proposed. (C) 2013 Elsevier Ltd. All rights reserved.