N-(phenyl)-3α,7α-dihydroxy-5β-cholan-24-amide | 65384-76-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: N-(phenyl)-3α,7α-dihydroxy-5β-cholan-24-amide
• 英文别名: Germination-IN-1；(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-N-phenylpentanamide
• CAS: 65384-76-1
• 化学式: C₃₀H₄₅NO₃
• 分子量: 467.692
• InChiKey: XQAOJNYOXOQRTQ-CMLBRSAOSA-N

物化性质

• 沸点：
  639.2±30.0 °C(Predicted)
• 密度：
  1.129±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.03
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  69.56
• 氢给体数：
  3.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  diethyl phenylphosphoramidite 、 鹅去氧胆酸 以 various solvent(s) 为溶剂， 反应 1.0h， 生成 N-(phenyl)-3α,7α-dihydroxy-5β-cholan-24-amide
  参考文献：
  名称：

  Goeroeg, S.; Renyei, M., Acta Chimica Hungarica, 1984, vol. 115, # 1, p. 65 - 70

  摘要：

  DOI：

文献信息

• Studies on the Importance of the 7α-, and 12α- hydroxyl groups of N-Aryl-3α,7α,12α-trihydroxy-5β-cholan-24-amides on their Antigermination Activity Against a Hypervirulent Strain of Clostridioides (Clostridium) difficile
  作者：Shiv K. Sharma、Christopher Yip、Matthew P. Simon、Jacqueline Phan、Ernesto Abel-Santos、Steven M. Firestine

  DOI：10.1016/j.bmc.2021.116503

  日期：2021.12
• [EN] INHIBITORS OF C. DIFFICILE SPORE GERMINATION<br/>[FR] INHIBITEURS DE LA GERMINATION DES SPORES DE C. DIFFICILE
  申请人：[en]ABEL-SANTOS, Ernesto

  公开号：WO2023039159A2

  公开（公告）日：2023-03-16

  Provided herein are compounds, compositions, and methods useful for reducing, preventing, and/or inhibiting germination ofC. difficilespores, including methods for inhibitingC. difficilegermination to prevent or treatingC. difficile-associated diseases and disorders such as, for example, severe diarrhea and colitis in a subject. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.