胆酸-D4 | 116380-66-6

• 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
• 中文名称: 胆酸-D4
• 中文别名: 胆酸-2,2,4,4-d₄；胆酸
• 英文名称: 5β-cholanic acid-3α,7α,12α-triol-2,2,4,4-d4
• 英文别名: cholic-2,2,-4-4-d₄ acid；cholic acid-d₄；cholic-2,2,4,4-d4 acid；CA-d₄；2,2,4,4-2H cholic acid；Cholic acid-2,2,4,4-d4；(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,7,12-trihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
• CAS: 116380-66-6
• 化学式: C₂₄H₄₀O₅
• 分子量: 412.547
• InChiKey: BHQCQFFYRZLCQQ-YFEOEUIKSA-N

物化性质

• 熔点：
  200-201°C (lit.)
• 溶解度：
  DMF: 30 mg/ml,DMF:PBS(pH 7.2)(1:1): 0.5 mg/ml,DMSO: 20 mg/ml,乙醇: 20 mg/ml

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 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：
  98
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• WGK Germany：
  3

文献信息

• Bile acid receptor agonism for treating addiction
  申请人：Vanderbilt University

  公开号：US10064876B2

  公开（公告）日：2018-09-04

  Compositions and methods for treating addiction in a subject are disclosed. In particular, compositions and methods for treating addiction to a dopaminergic psychostimulant are disclosed. In some embodiments, addiction is treated by agonizing bile acid receptors in the subject. For example, in some embodiments, the method comprises administering to the subject a therapeutically effective amount of a composition comprising a therapeutically effective amount of a bile acid receptor agonist. In some embodiments, the method comprises surgically diverting bile acids in the subject in a manner suitable to increase circulating bile acids in the subject.

  本发明公开了用于治疗受试者成瘾的组合物和方法。特别是，公开了治疗多巴胺能精神兴奋剂成瘾的组合物和方法。在一些实施方案中，通过激动受试者体内的胆汁酸受体来治疗成瘾。例如，在一些实施方案中，该方法包括向受试者施用治疗有效量的组合物，该组合物包含治疗有效量的胆汁酸受体激动剂。在一些实施方案中，该方法包括以适合增加受试者体内循环胆汁酸的方式，通过手术转移受试者体内的胆汁酸。
• Method for assessment of hepatic function and portal blood flow
  申请人：The Regents of the University of Colorado, a body corporate

  公开号：US10222366B2

  公开（公告）日：2019-03-05

  A method for estimating portal blood flow and hepatic function in a subject is provided. In one example, the STAT test is an in vitro simplified, convenient test intended for screening purposes that can reasonably estimate the portal blood flow from a single blood sample taken 60 minutes after orally administered deuterated-cholate. The test can be administered to a patient having, or suspected of having, Chronic Hepatitis C, Primary Sclerosing Cholangitis (PSC), Non-Alcoholic Fatty Liver Disease (NAFLD), or any chronic liver disease.

  提供了一种估算受试者门静脉血流量和肝功能的方法。在一个例子中，STAT 试验是一种用于筛查目的的体外简化便捷试验，可在口服氘化胆酸盐 60 分钟后，通过采集单份血液样本合理估计门静脉血流量。该试验可用于患有或疑似患有慢性丙型肝炎、原发性硬化性胆管炎、非酒精性脂肪肝或任何慢性肝病的患者。
• Methods for monitoring treatment of chronic liver disease
  申请人：The Regents of the University of Colorado, a Body Corporate

  公开号：US11181536B2

  公开（公告）日：2021-11-23

  A Disease Severity Index (DSI) is provided for assessment of chronic liver disease in a patient using non-invasive liver function test results. A DSI was derived from non-invasive liver function test results based on hepatic blood flow. The DSI is used in methods for prediction of clinical outcomes, prediction of response to antiviral treatment, and assessment of progression of chronic liver diseases. Non-invasive methods to diagnose three distinct categories of patients with Primary Sclerosing Cholangitis (PSC) are provided. The methods can be used to diagnose PSC patients as Slow Progressors, Moderate Progressors and Rapid Progressors.

  提供了一种疾病严重程度指数（DSI），用于利用无创肝功能检测结果评估患者的慢性肝病。DSI 是根据肝血流量从非侵入性肝功能检测结果中得出的。DSI 可用于预测临床结果、预测对抗病毒治疗的反应以及评估慢性肝病的进展。提供了诊断三类不同的原发性硬化性胆管炎（PSC）患者的无创方法。这些方法可用于将原发性硬化性胆管炎患者诊断为缓慢进展者、中度进展者和快速进展者。
• METHOD FOR ASSESSMENT OF HEPATIC FUNCTION AND PORTAL BLOOD FLOW
  申请人：The Regents of the University of Colorado, A Body Corporate

  公开号：EP2715346B1

  公开（公告）日：2020-07-15
• DISEASE SEVERITY INDEX FOR ASSESSMENT OF CHRONIC LIVER DISEASE AND METHOD FOR DIAGNOSIS OF THREE DISTINCT SUBTYPES OF PRIMARY SCLEROSING CHOLANGITIS
  申请人：The Regents of the University of Colorado, A Body Corporate

  公开号：EP2917727A1

  公开（公告）日：2015-09-16