5-Hydroxy-2-[(octylsulfanyl)methyl]-4H-pyran-4-one | 138426-81-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 5-Hydroxy-2-[(octylsulfanyl)methyl]-4H-pyran-4-one
• 英文别名: 5-hydroxy-2-(octylsulfanylmethyl)pyran-4-one
• CAS: 138426-81-0
• 化学式: C₁₄H₂₂O₃S
• 分子量: 270.393
• InChiKey: XLEDXHZBLXMDOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  71.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (2-氯甲基)-5-羟基-4H-吡喃-4-酮 、 Kalium-n-octylmercaptid 以 N,N-二甲基甲酰胺 为溶剂， 生成 5-Hydroxy-2-[(octylsulfanyl)methyl]-4H-pyran-4-one
  参考文献：
  名称：

  Kojyl thioether derivatives having both tyrosinase inhibitory and anti-inflammatory properties

  摘要：

  This study was conducted to examine the tyrosinase inhibitory and anti-inflammatory activities of kojic acid derivatives. A series of kojic acid derivatives containing thioether, sulfoxide, and sulfone linkages were synthesized. In the tyrosinase assay, kojyl thioether derivatives containing appropriate lipophilic alkyl chains (pentane, hexane, and cyclohexane) showed potent inhibitory activity. However, sulfoxides and sulfones exhibited decreased activity. Similar experimental results were obtained with inhibitory activities of NO production being induced by LPS. The presence of thioether linkage and appropriated lipophilic acid moiety was critical for the tyrosinase inhibitory and anti-inflammatory activities. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.042

文献信息

• BORON-CONTAINING COMPOUND
  申请人：Stella Pharma Corporation

  公开号：EP3492477A1

  公开（公告）日：2019-06-05

  To provide a novel boron-containing compound. A compound represented by the following formula: wherein black circle represents B, white circles represent B-H; -R1 represents -(CH2)n-X1-R3 (n represents an integer of 0 to 6; X1 represents O, S, NH, S-S, O-CO, NHCO or SCO, or does not exist; R3 represents C6-C20 alkyl, hydroxy C6-C20 alkyl, amino C6-C20 alkyl, azido C6-C20 alkyl, hydroxycarbonyl C6-C20 alkyl, or the like), or a group having a repeating sequence of -(CH2)2-O- 3 times or more and 10 times or less and having a methyl group or an ethyl group at the end on the oxygen atom side; and -R2 is - (CH2)m-X2-R4 (m represents an integer from 0 to 8; X2 represents O, S, NH, S-S, O-CO, NHCO or SCO, or does not exist; and R4 represents a tumor recognition moiety), or does not exist are prepared and used.

  提供一种新型含硼化合物。一种由下式代表的化合物：其中黑圈代表B，白圈代表B-H；-R1代表-(CH2)n-X1-R3（n代表0至6的整数；X1代表O、S、NH、S-S、O-CO、NHCO或SCO，或不存在；R3代表C6-C20烷基、羟基 C6-C20烷基、氨基 C6-C20烷基、叠氮 C6-C20烷基、羟基羰基 C6-C20烷基或类似物），或重复序列为-( )2-O- 3 次或以上、10 次或以下且末端在氧原子一侧具有甲基或乙基的基团；和-R2 是-( )m-X2-R4（m 代表 0 至 8 的整数；X2 代表 O、S、NH、S-S、O-CO、NHCO 或 SCO，或不存在；R4 代表肿瘤识别基团），或不存在的基团制备和使用。