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2-羟基-4-[2-羟基-6-十五烷基-4-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基苯甲酰基]氧基-6-甲基苯甲酸 | 153821-50-2

中文名称
2-羟基-4-[2-羟基-6-十五烷基-4-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基苯甲酰基]氧基-6-甲基苯甲酸
中文别名
——
英文名称
Aquastatin A
英文别名
2-hydroxy-4-[2-hydroxy-6-pentadecyl-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoyl]oxy-6-methylbenzoic acid
2-羟基-4-[2-羟基-6-十五烷基-4-[(2S,3R,4S,5R,6R)-3,4,5-三羟基-6-(羟基甲基)四氢吡喃-2-基]氧基苯甲酰基]氧基-6-甲基苯甲酸化学式
CAS
153821-50-2
化学式
C36H52O12
mdl
——
分子量
676.802
InChiKey
PAQGKQJWHLLQLF-DIARTVEHSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 沸点:
    836.5±65.0 °C(Predicted)
  • 密度:
    1.269±0.06 g/cm3(Predicted)
  • 溶解度:
    可溶于DMSO

计算性质

  • 辛醇/水分配系数(LogP):
    9.3
  • 重原子数:
    48
  • 可旋转键数:
    21
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.61
  • 拓扑面积:
    203
  • 氢给体数:
    7
  • 氢受体数:
    12

SDS

SDS:1b514a29c6ed1f4bb9b86e7e5a5b5ad3
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上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Isolation of the protein tyrosine phosphatase 1B inhibitory metabolite from the marine-derived fungus Cosmospora sp. SF-5060
    摘要:
    In the course of bioassay-guided study on the EtOAc extract of a culture broth of the marine-derived fungus Cosmospora sp. SF-5060, aquastatin A (1) was isolated as a protein tyrosine phosphatase 1B (PTP1B) inhibitory component produced by the fungus. The compound was isolated by various chromatographic methods, and the structure was determined mainly by analysis of NMR spectroscopic data. Compound 1 exhibited potent inhibitory activity against PTP1B with IC50 value of 0.19 mu M, and the kinetic analyses of PTP1B inhibition by compound 1 suggested that the compound is inhibiting PTP1B activity in a competitive manner. Aquastatin A (1) also showed modest but selective inhibitory activity toward PTP1B over other protein tyrosine phosphatases, such as TCPTP, SHP-2, LAR, and CD45. In addition, the result of hydrolyzing aquastatin A (1) suggested that the dihydroxypentadecyl benzoic acid moiety in the molecule is responsible for the inhibitory activity. (C) 2009 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2009.09.025
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文献信息

  • Aquastatin C, a new glycoaromatic derivative from Sporothrix sp. FN611
    作者:Yun-Ju Kwon、Mi-Jin Sohn、Won-Gon Kim
    DOI:10.1038/ja.2010.156
    日期:2011.2
  • Isolation of the protein tyrosine phosphatase 1B inhibitory metabolite from the marine-derived fungus Cosmospora sp. SF-5060
    作者:Changon Seo、Jae Hak Sohn、Hyuncheol Oh、Bo Yeon Kim、Jong Seog Ahn
    DOI:10.1016/j.bmcl.2009.09.025
    日期:2009.11
    In the course of bioassay-guided study on the EtOAc extract of a culture broth of the marine-derived fungus Cosmospora sp. SF-5060, aquastatin A (1) was isolated as a protein tyrosine phosphatase 1B (PTP1B) inhibitory component produced by the fungus. The compound was isolated by various chromatographic methods, and the structure was determined mainly by analysis of NMR spectroscopic data. Compound 1 exhibited potent inhibitory activity against PTP1B with IC50 value of 0.19 mu M, and the kinetic analyses of PTP1B inhibition by compound 1 suggested that the compound is inhibiting PTP1B activity in a competitive manner. Aquastatin A (1) also showed modest but selective inhibitory activity toward PTP1B over other protein tyrosine phosphatases, such as TCPTP, SHP-2, LAR, and CD45. In addition, the result of hydrolyzing aquastatin A (1) suggested that the dihydroxypentadecyl benzoic acid moiety in the molecule is responsible for the inhibitory activity. (C) 2009 Elsevier Ltd. All rights reserved.
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