N-(-Carboxymethyl)-3β-stearylamido-7α,12α-dihydroxy-5β-cholane-24 Amide | 246529-28-2

• 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-(-Carboxymethyl)-3β-stearylamido-7α,12α-dihydroxy-5β-cholane-24 Amide
• 英文别名: 2-[[(4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-10,13-dimethyl-3-(octadecanoylamino)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
• CAS: 246529-28-2
• 化学式: C₄₄H₇₈N₂O₆
• 分子量: 731.113
• InChiKey: WBLGLXJLIDVMPS-POHVBCCCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.3
• 重原子数：
  52
• 可旋转键数：
  23
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  136
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• Bile salt conjugates
  申请人：Galmed International Limited

  公开号：US20020091111A1

  公开（公告）日：2002-07-11

  The present invention relates to bile acid or bile salt fatty acid conjugates (hereinafter called “BAFAC), to their use in dissolving cholesterol gallstones in bile, preventing their occurrence or recurrence, to their use in reducing or preventing arteriosclerosis and to methods for the treatment of said diseases. The conjugates are of the formula W—X—G in which G is a bile acid or bile salt radical, W stands for one or two saturated fatty acid radicals and X is either a direct bond or a bonding member between bile acid or bile salt and the fatty acid(s). The conjugation is advantageously performed at a position selected among the 3, 6, 7, 12 and 24 positions of the bile acid or bile salt nucleus. The fatty acids are preferably saturated fatty acids having 6-26 carbon atoms.

  本发明涉及胆酸或胆盐脂肪酸结合物（以下简称“BAFAC”），其用于溶解胆汁中的胆囊结石，预防其发生或复发，用于减少或预防动脉硬化，并用于治疗上述疾病的方法。这些结合物的公式为W—X—G，其中G是胆酸或胆盐基团，W代表一个或两个饱和脂肪酸基团，X是胆酸或胆盐和脂肪酸之间的直接键或连接成员。结合通常在胆酸或胆盐核的3、6、7、12和24位置之一进行。这些脂肪酸通常是具有6-26个碳原子的饱和脂肪酸。
• FATTY ACID DERIVATIVES OF BILE ACIDS AND BILE ACID DERIVATIVES
  申请人：Galmed International Ltd.

  公开号：EP1071702B1

  公开（公告）日：2002-08-28
• METHODS AND COMPOSITIONS FOR TREATING ALZHEIMER'S DISEASE
  申请人：Gilat Tuvia

  公开号：US20120157419A1

  公开（公告）日：2012-06-21

  The present invention relates to methods for treatment, prevention, and inhibition of progression of Alzheimer's disease, and other brain diseases characterized by amyloid plaque deposits, comprising the administration to a subject a bile acid fatty acid conjugates or bile salt fatty acid conjugate (FABAC).
• ANTI-AGING COMPOSITIONS COMPRISING BILE ACID-FATTY ACID CONJUGATES
  申请人：GALDERM THERAPEUTICS LTD.

  公开号：US20160175223A1

  公开（公告）日：2016-06-23

  Provided are topical compositions including fatty acid bile acid conjugates (FABACs). Further provided are methods of using the disclosed compositions for preventing, attenuating or treating skin aging and symptoms related thereto.
• US6395722B1
  申请人：——

  公开号：US6395722B1

  公开（公告）日：2002-05-28