methyl 3β-hydroxy-5β-cholane-12-one-24-oate acetate | 122441-64-9

• 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: methyl 3β-hydroxy-5β-cholane-12-one-24-oate acetate
• 英文别名: methyl 3β-hydroxy-5β-cholan-12-on-24-oate acetate；3β-acetoxy-12-oxo-5β-cholanoic acid-(24)-methyl ester；3β-Acetoxy-12-oxo-5β-cholansaeure-(24)-methylester；methyl (4R)-4-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
• CAS: 122441-64-9
• 化学式: C₂₇H₄₂O₅
• 分子量: 446.627
• InChiKey: XHQVLSIVZIPGLE-OESDZRLSSA-N

物化性质

• 沸点：
  516.8±35.0 °C(Predicted)
• 密度：
  1.10±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  69.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methyl 3β-hydroxy-5β-cholane-12-one-24-oate acetate 在 甲醇 、 水 、 sodium hydroxide 、 lithium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 10.5h， 生成 去氧胆酸
  参考文献：
  名称：

  SYNTHETIC BILE ACID COMPOSITIONS AND METHODS

  摘要：

  胆汁酸及相关组合物的合成和使用方法。更具体地说，脱氧胆酸及相关组合物，所述组合物不含任何动物来源的成分和不含热原性成分。

  公开号：

  US20130252931A1
• 作为产物：
  描述：

  methyl 3,12-dioxo-5β-cholan-24-oate 在 甲醇 、 镍 、 苯 作用下， 生成 methyl 3β-hydroxy-5β-cholane-12-one-24-oate acetate
  参考文献：
  名称：

  Lidocaine added to a tracheostomy tube cuff reduces tube discomfort

  摘要：

  Purpose: To examine whether lidocaine diffusion across an endotracheal tube cuff affects tracheostomy tube discomfort.Methods: Two tracheostomy tube cuffs were inflated with 5 mi lidocaine 4% solution and air at 20 cmH(2)O, and then placed in 20 mi distilled water at 37 degrees C. After vigorous stirring, 100 mu l of this water was then sampled immediately then 1, 2, 4, 8, 24 hr later to measure lidocaine concentration by high-performance liquid chromatography. Sixteen patients undergoing tracheostomy following oral cancer resection were randomly assigned to two groups: lidocaine (n=8) and placebo (n=8), A tracheostomy tube cuff was inflated with 5 mi lidocaine 4% or saline 0.9% and air to a cuff pressure of 20 cmH(2)O, in the lidocaine and placebo groups respectively, Tube discomfort was evaluated using a visual analogue scale at 0, 0.5, 1, 2 and 4 hr after lidocaine or saline administration, Neither analgesics nor sedatives was given during the evaluation period.Results: Lidocaine lime-dependently diffused across the tracheostomy tube cuff. Thirty and 60 min after cuff inflation lidocaine concentrations in the water bath reached approximately 8 and 17 mu g.ml(-1) representing 160 and 340 mu g in 20 ml of water, respectively. The VAS decreased from 53.5 +/- 10.6 to 25.1 +/- 9.8 mm (P < 0.01) 0.5 hr following lidocaine administration which continued until the end of evaluation period, in the placebo group, VAS did not change.Conclusion: Lidocaine diffusion across the tracheostomy tube cuff reduces tube discomfort.

  DOI：

  10.1007/bf03018969

文献信息

• Synthetic bile acid compositions and methods
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：US08242294B2

  公开（公告）日：2012-08-14

  Bile acids and related compositions and methods of synthesis and use. More specifically, deoxycholic acid and related compositions, said compositions being free of all moieties of animal origin and free of pyrogenic moieties.

  胆酸及相关组成物的合成和使用方法。更具体地说，去氧胆酸和相关组成物，该组成物不含任何动物来源的成分和无热原成分。
• Synthetic Bile Acid Composition, Method, and Preparation
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：EP2407475A2

  公开（公告）日：2012-01-18

  Bile acids and related compositions and methods of synthesis and use. More specifically, deoxycholic acid and related compositions, said compositions being free of all moieties of animal origin and free of pyrogenic moieties.

  胆汁酸和相关成分以及合成和使用方法。更具体地说，脱氧胆酸及相关组合物，所述组合物不含任何动物源性分子，也不含热源性分子。
• [EN] SYNTHETIC BILE ACID COMPOSITIONS AND METHODS<br/>[FR] COMPOSITIONS D'ACIDES BILIAIRES SYNTHÉTIQUES ET PROCÉDÉS
  申请人：KYTHERA BIOPHARMACEUTICALS INC

  公开号：WO2012021133A9

  公开（公告）日：2012-06-07
• synthetic bile acid preparation
  申请人：Kythera Biopharmaceuticals, Inc.

  公开号：EP2407475B1

  公开（公告）日：2015-08-12
• WO2008157635A2
  申请人：——

  公开号：——

  公开（公告）日：——