S 0960 | 142974-51-4

• 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: S 0960
• 英文别名: (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 142974-51-4
• 化学式: C₄₈H₇₉NO₈
• 分子量: 798.157
• InChiKey: GCJPHGQNZBNLBM-ZPKFPLNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  57
• 可旋转键数：
  9
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.96
• 拓扑面积：
  168
• 氢给体数：
  7
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  N-羟基丁二酰亚胺 、 S 0960 在 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Solvent-Induced Amphiphilic Molecular Baskets:  Unimolecular Reversed Micelles with Different Size, Shape, and Flexibility

  摘要：

  Amphiphilic molecular baskets were obtained by attaching facially amphiphilic cholate groups to a covalent scaffold (calix[4] arene or 1,3,5-2,4,6-hexasubstituted benzene). In a solvent mixture consisting of mostly a nonpolar solvent (i.e., CCl4) and a polar solvent (i.e., DMSO), the hydrophilic faces of cholates turned inward to form a reversed-micelle-like conformer whose stability was strongly influenced by the number of the cholates and the topology of the scaffold. Preferential solvation of the hydrophilic faces of cholates within the molecule by the polar solvent was cooperative and gave the fundamental driving force to the conformational change. The reversed-micelle-like conformer was most stable in structures that allowed multiple cholates to form a microenvironment that could efficiently enrich the polar solvent molecules from the bulk solvent mixture.

  DOI：

  10.1021/jo0607663
• 作为产物：
  描述：

  胆酸 在 sodium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 S 0960
  参考文献：
  名称：

  回肠胆汁酸运输的特定抑制剂。

  摘要：

  DOI：

  10.1021/jm00033a001

文献信息

• BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF GASTROINTESTINAL INFECTIONS
  申请人：Lumena Pharmaceuticals, Inc.

  公开号：US20150119345A1

  公开（公告）日：2015-04-30

  Provided herein are methods for treating or preventing gastrointestinal and/or liver infections utilizing bile acid transport inhibitors and/or enteroendocrine peptide enhancing agents and/or FXR agonists. Also provided herein are methods for increasing the levels of an enteroendocrine peptide or hormone in an individual suffering from a gastrointestinal infection or liver infection utilizing bile acid transport inhibitors and/or enteroendocrine peptide enhancing agents and/or FXR agonists.

  本文提供了利用胆汁酸转运抑制剂和/或肠内分泌肽增强剂和/或FXR激动剂治疗或预防胃肠和/或肝感染的方法。本文还提供了利用胆汁酸转运抑制剂和/或肠内分泌肽增强剂和/或FXR激动剂增加患有胃肠感染或肝感染的个体体内肠内分泌肽或激素水平的方法。
• Bile Acid Recycling Inhibitors for Treatment of Hypercholemia and Cholestatic Liver Disease
  申请人：Lumena Pharmaceuticals, Inc.

  公开号：US20130108573A1

  公开（公告）日：2013-05-02

  Provided herein are methods of treating or ameliorating hypercholemia or a cholestatic liver disease by administering to an individual in need thereof a therapeutically effective amount of an Apical Sodium-dependent Bile Acid Transporter Inhibitor (ASBTI) or a pharmaceutically acceptable salt thereof. Also provided are methods for treating or ameliorating a liver disease, decreasing the levels of serum bile acids or hepatic bile acids, treating or ameliorating pruritis, reducing liver enzymes, or reducing bilirubin comprising administering to an individual in need thereof a therapeutically effective amount of ASBTI or a pharmaceutically acceptable salt thereof.

  本文提供了一种治疗或改善高胆固醇血症或胆汁淤积性肝病的方法，即通过向需要的个体施用治疗有效量的顶端钠依赖性胆酸转运蛋白抑制剂（ASBTI）或其药用可接受盐。还提供了一种治疗或改善肝病、降低血清胆酸或肝内胆酸水平、治疗或改善瘙痒、降低肝酶或减少胆红素的方法，即通过向需要的个体施用治疗有效量的ASBTI或其药用可接受盐。
• BILE ACID RECYCLING INHIBITORS FOR TREATMENT OF OBESITY AND DIABETES
  申请人：Young Andrew A.

  公开号：US20120157399A1

  公开（公告）日：2012-06-21

  Provided herein are methods of utilizing bile acid transport inhibitors for the treatment of obesity and diabetes.

  本文提供了利用胆汁酸转运抑制剂治疗肥胖症和糖尿病的方法。
• Bile Acid Recycling Inhibitors for Treatment of Pancreatitis
  申请人：GEDULIN Bronislava

  公开号：US20130034536A1

  公开（公告）日：2013-02-07

  Provided herein are methods and compositions comprising bile acid transport inhibitors and/or enteroendocrine peptide enhancing agents and/or FXR agonists for the treatment of pancreatitis or prevention of pancreatitis.

  本文提供了一种治疗胰腺炎或预防胰腺炎的方法和组合物，其中包括胆汁酸转运抑制剂和/或肠内分泌肽增强剂和/或FXR激动剂。
• BILE ACID RECYCLING INHIBITORS AND SATIOGENS FOR TREATMENT OF DIABETES, OBESITY, AND INFLAMMATORY GASTROINTESTINAL CONDITIONS
  申请人：Gedulin Bronislava

  公开号：US20130059807A1

  公开（公告）日：2013-03-07

  Provided herein are methods of utilizing bile acid transport inhibitors and/or enteroendocrine peptide enhancing agents for the treatment of obesity, diabetes, and inflammatory gastrointestinal conditions.

  本文提供了一种利用胆汁酸转运抑制剂和/或肠内分泌肽增强剂治疗肥胖症、糖尿病和炎症性肠道疾病的方法。