potassium;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate | 24404-82-8

• 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: potassium;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
• CAS: 24404-82-8
• 化学式: C₂₄H₃₉O₃*K
• 分子量: 414.67
• InChiKey: KQFJYTFNMYNKQR-DGMAEHPPSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.18
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  60.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  potassium;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate 、 adenosine 5'-triphosphate disodium salt 在 苯甲基磺酰氟 、 potassium chloride 、 magnesium chloride 作用下， 以 水 、 三羟甲基氨基甲烷盐酸盐 为溶剂， 反应 0.5h， 以4.6 pmol/min/mg protein的产率得到lithocholyl-adenylate
  参考文献：
  名称：

  Chemical synthesis of bile acid acyl-adenylates and formation by a rat liver microsomal fraction

  摘要：

  In mammals, unconjugated bile acids formed in the intestine by bacterial deconjugation are reconjugated (N-acylamidated) with taurine or glycine during hepatocyte transport. Activation of the carboxyl group of bile acids to form acyl-adenylates is a likely key intermediate step in bile acid N-acylamidation. To gain more insight into the process of bile acid adenylate formation, we first synthesized the adenylates of five common, natural bile acids (cholic, deoxycholic, chenodeoxycholic, ursodeoxycholic, and lithocholic acid), and confirmed their structure by proton NMR. We then investigated adenylate formation by subcellular fractions of rat liver (microsomes, mitochondria, cytsol) using a newly developed LC method for quantifying adenylate formation. The highest activity was observed in the microsomal fraction. The reaction required Mg2+ and its optimum pH was about pH 7.0. In term of maximum velocity (V x) and the Michaelis constant (K), the catalytic efficiency of the enzyme under the conditions used was highest with cholic acid of the bile acids tested. The formation of cholyl-adenylate was strongly inhibited by lithocholic and deoxycholic acid, as well as by palmitic acid; ibuprofen and valproic acid were weak inhibitors. In cholestatic disease, such adenylate formation might lead to subsequent bile acid conjugation with glutathione or proteins. (C) 2009 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2009.04.003

文献信息

• Methods and related compositions for reduction of fat and skin tightening
  申请人：THE REGENTS OF THE UNIVERSITY OF CALIFORNIA

  公开号：US10058561B2

  公开（公告）日：2018-08-28

  Compositions and methods useful in the reduction of localized fat deposits and tightening of loose skin in subjects in need thereof using pharmacologically active detergents are disclosed. The pharmacologically active detergent compositions can additionally include anti-inflammatory agents, analgesics, dispersion or anti-dispersion agents and pharmaceutically acceptable excipients. The pharmacologically active detergent compositions are useful for treating localized accumulations of fat including, for example, lower eyelid fat herniation, lipodystrophy and fat deposits associated with cellulite and do not require surgical procedures such as liposuction.

  本发明公开了使用药理活性洗涤剂减少局部脂肪沉积和收紧松弛皮肤的组合物和方法。药理活性洗涤剂组合物还可包括消炎剂、镇痛剂、分散剂或抗分散剂以及药学上可接受的赋形剂。药理活性洗涤剂组合物适用于治疗局部脂肪堆积，例如下眼睑脂肪疝出、脂肪营养不良和与橘皮组织有关的脂肪沉积，而且不需要进行抽脂等外科手术。
• Double metal cyanide catalysts for preparing polyether polyols
  申请人：——

  公开号：US20020198099A1

  公开（公告）日：2002-12-26

  The invention is directed to a double-metal cyanide catalyst for the preparation of a polyether polyol by the polyaddition of an alkylene oxideon to a starter compound containing active hydrogen atoms, wherein the DMC catalyst comprises a) at least one double-metal cyanide compound; b) at least one organic complexing ligand; and c) two different complexing components.

  本发明涉及一种氰化双金属催化剂，用于将环氧亚烷基与含有活泼氢原子的起始化合物进行加成反应制备聚醚多元醇，其中 DMC 催化剂包括 a) 至少一种氰化双金属化合物；b) 至少一种有机络合配体；以及 c) 两种不同的络合组分。
• METHODS AND RELATED COMPOSITIONS FOR REDUCTION OF FAT AND SKIN TIGHTENING
  申请人：Los Angeles Biomedical Research Institute at Harbor-UCLA Medical Center

  公开号：EP1845938A1

  公开（公告）日：2007-10-24
• Double-metal cyanide catalysts for preparing polyether polyols
  申请人：——

  公开号：US20030204045A1

  公开（公告）日：2003-10-30

  The invention is directed to a double-metal cyanide catalyst for the preparation of a polyether polyol by the polyaddition of an alkylene oxide on to a starter compound containing active hydrogen atoms, wherein the DMC catalyst comprises a) at least one double-metal cyanide compound; b) at least one organic complexing ligand which is not a polyether, a bile acid, a bile acid salt, a bile acid ester or a bile acid amide; c) at least one polyether; and d) at least one bile acid, bile acid salt, bile acid ester or bile acid amide. The catalyst of the present invention has increased activity in the preparation of a polyether polyol.
• Methods and Related Compositions for Reduction of Fat and Skin Tightening
  申请人：Kolodney Michael S.

  公开号：US20100292650A1

  公开（公告）日：2010-11-18

  Compositions and methods useful in the reduction of localized fat deposits and tightening of loose skin in subjects in need thereof using pharmacologically active detergents are disclosed. The pharmacologically active detergent compositions can additionally include anti-inflammatory agents, analgesics, dispersion or anti-dispersion agents and pharmaceutically acceptable excipients. The pharmacologically active detergent compositions are useful for treating localized accumulations of fat including, for example, lower eyelid fat herniation, lipodystrophy and fat deposits associated with cellulite and do not require surgical procedures such as liposuction.