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3α-[2-(1-imidazolyl)ethyl]amino-5α-cholestan-7-one | 1257259-66-7

中文名称
——
中文别名
——
英文名称
3α-[2-(1-imidazolyl)ethyl]amino-5α-cholestan-7-one
英文别名
(3R,5R,8R,9S,10S,13R,14S,17R)-3-(2-imidazol-1-ylethylamino)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-7-one
3α-[2-(1-imidazolyl)ethyl]amino-5α-cholestan-7-one化学式
CAS
1257259-66-7
化学式
C32H53N3O
mdl
——
分子量
495.792
InChiKey
LGXAVXJARNBPCV-IOWSCIPNSA-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

计算性质

  • 辛醇/水分配系数(LogP):
    7.7
  • 重原子数:
    36
  • 可旋转键数:
    9
  • 环数:
    5.0
  • sp3杂化的碳原子比例:
    0.88
  • 拓扑面积:
    46.9
  • 氢给体数:
    1
  • 氢受体数:
    3

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:
    Synthesis and antimicrobial activity of imidazole and pyridine appended cholestane-based conjugates
    摘要:
    A series of 3 alpha-amino-5 alpha-cholestane and 3 alpha,7 alpha-diamino-5 alpha-cholestane derivatives containing imidazole and pyridine rings were synthesized by simple and effective reductive amination, and their in vitro activities against a range of Gram-positive and Gram-negative strains were evaluated. Most of the compound exhibited enhanced activity against MRSA pathogen. 3 alpha,7 alpha-Di(pyridylmethyl)amino-5 alpha-cholestane 10 showed the highest potency in these series toward the Gram-positive bacteria, Staphylococcus epidermidis 887E, with the lowest MIC value of 1 mu g/mL. (C) 2013 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2013.05.098
  • 作为产物:
    描述:
    5α-cholestane-3,7-dione2-咪唑-1-基乙胺 在 bromocresol green 、 sodium triethoxyborohydride 、 溶剂黄146 作用下, 以 四氢呋喃 为溶剂, 反应 10.0h, 以74%的产率得到3α-[2-(1-imidazolyl)ethyl]amino-5α-cholestan-7-one
    参考文献:
    名称:
    New 2-aminoethylimidazole-based dicarboxylic acid receptor derived from cholestane
    摘要:
    A new facial amphiphile cholestane-based receptor 1 containing a 2-imidazolylethylamino moiety at the 3 alpha and 7 alpha positions of cholestane was synthesized. Recognition selectivity of the new receptor 1 with various dicarboxylic acids was assessed by (1)H NMR titration. Maleic acid showed the highest binding constant among all the tested acids (K(a) = 9.36 x 10(4) M(-1)). (C) 2010 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.tetlet.2010.09.030
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文献信息

  • Synthesis and antimicrobial activity of imidazole and pyridine appended cholestane-based conjugates
    作者:Hong-Seok Kim、Jyoti R. Jadhav、Sung-Ji Jung、Jin-Hwan Kwak
    DOI:10.1016/j.bmcl.2013.05.098
    日期:2013.8
    A series of 3 alpha-amino-5 alpha-cholestane and 3 alpha,7 alpha-diamino-5 alpha-cholestane derivatives containing imidazole and pyridine rings were synthesized by simple and effective reductive amination, and their in vitro activities against a range of Gram-positive and Gram-negative strains were evaluated. Most of the compound exhibited enhanced activity against MRSA pathogen. 3 alpha,7 alpha-Di(pyridylmethyl)amino-5 alpha-cholestane 10 showed the highest potency in these series toward the Gram-positive bacteria, Staphylococcus epidermidis 887E, with the lowest MIC value of 1 mu g/mL. (C) 2013 Elsevier Ltd. All rights reserved.
  • New 2-aminoethylimidazole-based dicarboxylic acid receptor derived from cholestane
    作者:Jyoti Ramesh Jadhav、Md. Wasi Ahmad、Hong-Seok Kim
    DOI:10.1016/j.tetlet.2010.09.030
    日期:2010.11
    A new facial amphiphile cholestane-based receptor 1 containing a 2-imidazolylethylamino moiety at the 3 alpha and 7 alpha positions of cholestane was synthesized. Recognition selectivity of the new receptor 1 with various dicarboxylic acids was assessed by (1)H NMR titration. Maleic acid showed the highest binding constant among all the tested acids (K(a) = 9.36 x 10(4) M(-1)). (C) 2010 Elsevier Ltd. All rights reserved.
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