Cholic acid trisulfate

• 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: Cholic acid trisulfate
• 英文别名: (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-3,7,12-trisulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• 化学式: C₂₄H₄₀O₁₄S₃
• 分子量: 648.8
• InChiKey: BPLISKQNKOOMGO-OELDTZBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  41
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  253
• 氢给体数：
  4
• 氢受体数：
  14

文献信息

• SULFATED MOLECULAR UMBRELLAS CONTAINING 6-200 CHOLANIC ACID (DERIVATIVE) UNITS AS ANTI-HIV AND ANTI-HSV AGENTS
  申请人：Lehigh University

  公开号：EP1817325A2

  公开（公告）日：2007-08-15
• Sulfated molecular umbrellas as anti-HIV and anti-HSV agents
  申请人：Regen Steven

  公开号：US20070232576A1

  公开（公告）日：2007-10-04

  A chemical genus of sulfated cholestanes attached to an oligomer through amide or ester bonds is disclosed. The compounds are useful as anti human immunodeficiency virus (HIV) and anti-herpes simplex virus (HSV) agents. The compounds have the general formula in which CPS (the structure within the square brackets) is a cholanic acid derivative. R 1 to R 16 are chosen independently from H, OH and OSO 3 − A + . W is a direct bond or a deshydrogen residue of a C3-C6 diol or triol. A is chosen from H + , a quaternary ammonium species and the cation of an alkali or alkaline earth metal. Z is a direct bond or a residue of an amino acid, a peptide or an aminosulfonic acid. Ω is a moiety having n or more —NH and —OH groups separated by 6 or fewer carbons; and n is an integer from 6 to 200.
• [EN] SULFATED MOLECULAR UMBRELLAS AS ANTI-HIV AND ANTI-HSV AGENTS<br/>[FR] PARAPLUIES MOLECULAIRES SULFATES EN TANT QU'AGENTS ANTI-VIH ET ANTI-VHS
  申请人：UNIV LEHIGH

  公开号：WO2006034369A2

  公开（公告）日：2006-03-30

  A chemical genus of sulfated cholestanes attached to an oligomer through amide or ester bonds is disclosed. The compounds are useful as anti human immunodeficiency virus (HIV) and anti-herpes simplex virus (HSV) agents. The compounds have the general formula n, in which CPS (the structure within the square brackets) is a cholamic acid derivative. R1 to R16 are chosen independently from H, OH and OSO3-A+. W is a direct bond or a deshydrogen residue of a C3-C6 diol or triol. A is chosen from H+, a quaternary ammonium species and the cation of an alkali or alkaline earth metal. Z is a direct bond or a residue of an amino acid, a peptide or an aminosulfonic acid. Ω is a moiety having n or more -NH and -OH groups separated by 6 or fewer carbons; and n is an integer from 6 to 200.