5-chloro-2-(phenylsulfanyl)benzaldehyde | 262290-71-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 5-chloro-2-(phenylsulfanyl)benzaldehyde
• 英文别名: 5-Chloro-2-(phenylsulfanyl)benzaldehyde；5-chloro-2-phenylsulfanylbenzaldehyde
• CAS: 262290-71-1
• 化学式: C₁₃H₉ClOS
• 分子量: 248.733
• InChiKey: UNMVSEIITBIETG-UHFFFAOYSA-N

物化性质

• 沸点：
  365.3±32.0 °C(Predicted)
• 密度：
  1.31±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  5-chloro-2-(phenylsulfanyl)benzaldehyde 在 sodium tetrahydroborate 、 3 A molecular sieve 作用下， 以 乙醇 为溶剂， 反应 24.0h， 生成 (5-Chloro-2-phenylsulfanyl-benzyl)-(3-{4-[3-(5-chloro-2-phenylsulfanyl-benzylamino)-propyl]-piperazin-1-yl}-propyl)-amine
  参考文献：
  名称：

  Trypanothione reductase inhibition/trypanocidal activity relationships in a 1,4-bis(3-aminopropyl)piperazine series

  摘要：

  A series of symmetrically substituted 1,4-bis(3-aminopropyl)piperazines was synthesized and tested towards trypanothione reductase and for its in vitro trypanocidal potency. The most trypanocidal amongst them was found to be totally inactive towards the enzyme and thus constitutes a lead structure for the identification of new potential Trypanosoma cruzi target(s). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00268-0
• 作为产物：
  描述：

  5-氯-2-碘苯甲酸 在 氢氧化钾 、 硼烷四氢呋喃络合物 、 铜 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 反应 28.0h， 生成 5-chloro-2-(phenylsulfanyl)benzaldehyde
  参考文献：
  名称：

  Trypanothione reductase inhibition/trypanocidal activity relationships in a 1,4-bis(3-aminopropyl)piperazine series

  摘要：

  A series of symmetrically substituted 1,4-bis(3-aminopropyl)piperazines was synthesized and tested towards trypanothione reductase and for its in vitro trypanocidal potency. The most trypanocidal amongst them was found to be totally inactive towards the enzyme and thus constitutes a lead structure for the identification of new potential Trypanosoma cruzi target(s). (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(99)00268-0

文献信息

• Trypanothione reductase inhibition/trypanocidal activity relationships in a 1,4-bis(3-aminopropyl)piperazine series
  作者：Béatrice Bonnet、David Soullez、Sophie Girault、Louis Maes、Valérie Landry、Elisabeth Davioud-Charvet、Christian Sergheraert

  DOI：10.1016/s0968-0896(99)00268-0

  日期：2000.1

  A series of symmetrically substituted 1,4-bis(3-aminopropyl)piperazines was synthesized and tested towards trypanothione reductase and for its in vitro trypanocidal potency. The most trypanocidal amongst them was found to be totally inactive towards the enzyme and thus constitutes a lead structure for the identification of new potential Trypanosoma cruzi target(s). (C) 2000 Elsevier Science Ltd. All rights reserved.