(3S)-3-methylsulfanylbutanal

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (3S)-3-methylsulfanylbutanal
• 化学式: C₅H₁₀OS
• 分子量: 118.2
• InChiKey: NCBDFIPMWRKPDU-YFKPBYRVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 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：

  (3S)-3-methylsulfanylbutanal 在 铁粉 、 氯化铵 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 乙醇 、 水 为溶剂， 反应 10.0h， 生成
  参考文献：
  名称：

  Alkylsulfanyl analogs as potent α 2 δ ligands

  摘要：

  We identified novel (3R, 5S)-3-aminomethyl-5-methanesulfanyl hexanoic acid (5a: DS75091588) and (3R, 5S)-3-aminomethyl-5-ethanesulfanyl hexanoic acid (6a: DS18430756) as sulfur-containing y-amino acid derivatives that were useful for the treatment of neuropathic pain. These two compounds exhibited a potent analgesic effect in animal models of both type I diabetes and type II diabetes, and good pharmacokinetics. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2018.05.006
• 作为产物：
  描述：

  methyl (3S)-acetylsulfanylbutanoate 在 甲醇 、 sodium methylate 、 二异丁基氢化铝 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 (3S)-3-methylsulfanylbutanal
  参考文献：
  名称：

  Alkylsulfanyl analogs as potent α 2 δ ligands

  摘要：

  We identified novel (3R, 5S)-3-aminomethyl-5-methanesulfanyl hexanoic acid (5a: DS75091588) and (3R, 5S)-3-aminomethyl-5-ethanesulfanyl hexanoic acid (6a: DS18430756) as sulfur-containing y-amino acid derivatives that were useful for the treatment of neuropathic pain. These two compounds exhibited a potent analgesic effect in animal models of both type I diabetes and type II diabetes, and good pharmacokinetics. (C) 2018 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2018.05.006

文献信息

• Alkylsulfanyl analogs as potent α 2 δ ligands
  作者：Kousei Shimada、Yasuo Ohata、Jun Kobayashi、Yoshiyuki Onishi、Asuka Kawamura、Yuki Domon、Naohisa Arakawa、Tatsuya Inoue、Yutaka Kitano、Fumihiko Matsuda、Yuki Abe、Tsuneo Deguchi

  DOI：10.1016/j.bmcl.2018.05.006

  日期：2018.6

  We identified novel (3R, 5S)-3-aminomethyl-5-methanesulfanyl hexanoic acid (5a: DS75091588) and (3R, 5S)-3-aminomethyl-5-ethanesulfanyl hexanoic acid (6a: DS18430756) as sulfur-containing y-amino acid derivatives that were useful for the treatment of neuropathic pain. These two compounds exhibited a potent analgesic effect in animal models of both type I diabetes and type II diabetes, and good pharmacokinetics. (C) 2018 Elsevier Ltd. All rights reserved.