2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-hydroxy-1H-pyridin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(1H-benzimidazol-2-ylsulfanylmethyl)-3-hydroxy-1H-pyridin-4-one
• 化学式: C₁₃H₁₁N₃O₂S
• 分子量: 273.31
• InChiKey: OIMOVQVMOHEGGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• Skin Lightening Compositions
  申请人：Niki Yoko

  公开号：US20140154190A1

  公开（公告）日：2014-06-05

  Compositions and methods for lightening and/or depigmenting skin are provided, the compositions comprising compounds having the structure: wherein: R 1 and R 2 are same or different and are each selected from the group consisting of hydrogen, alkyl, carbomethoxy, carboethoxy, alkoxy, and alkanoyl, any of which may be halogen-substituted, and halogen; R 6 is selected from the group consisting of hydrogen, methyl, and ethyl; and R 3 , R 4 and R 5 are the same or different and are each selected from the group consisting of hydrogen, methyl, methoxy, ethoxy, methoxyethoxy, ethoxyethoxy, propoxy, propoxymethoxy, and the like, any of which may be halogen-substituted; or having the structure: wherein: R 2 is hydrogen, lower alkyl or hydroxy lower alkyl; R 3 is lower alkyl, —CH 2 CN, hydroxy lower alkyl, —NO, —CH 2 N═C or (wherein R 6 and R 7 are independently selected from the group consisting of hydrogen and lower alkyl) or hydrogen provided R 2 is not hydrogen; R 4 is Z-T-W wherein Z represents —O—, —NH— or a single bond; T represents a straight- or branched-chain lower-alkylene group; when Z is a single bond, T also represents an ethenylene or a propenylene group wherein the unsaturated carbon is at the single bond; when Z is —O—, T also represents an allylene group wherein the saturated carbon is at the oxygen; and W represents hydrogen, when T is allylene and Z is —O—, and Ar, wherein Ar is selected from thienyl, pyridinyl, furanyl, phenyl and substituted phenyl wherein there are one or more substituents on the phenyl independently selected from halogen or lower alkyl; and R 5 is hydrogen, halogen or lower alkyl; or pharmaceutically-, cosmetically- and dermatologically-acceptable salts, solvates, and bioprecursors, and stereoisomers and enantiomers of these compounds, free from or mixed with other enantiomers or stereoisomers; and such compounds in compositions with a pharmaceutically-, cosmetically- or dermatologically-acceptable carrier thereof comprising a safe and effective amount of the skin lightening or depigmenting compound.
• SKIN LIGHTENING COMPOSITIONS
  申请人：ELC Management LLC

  公开号：US20170035672A1

  公开（公告）日：2017-02-09

  Compositions and methods for lightening and/or depigmenting skin are provided, the compositions comprising compounds having the structure: or having the structure: as defined herein.
• US9314415B2
  申请人：——

  公开号：US9314415B2

  公开（公告）日：2016-04-19