(2S,4S)-2-[(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)-phenoxy)methyl]-4-(3-chlorophenyl)-2-oxido[1,3,2]dioxaphosphane | 852948-12-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2S,4S)-2-[(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)-phenoxy)methyl]-4-(3-chlorophenyl)-2-oxido[1,3,2]dioxaphosphane
• 英文别名: cis (S)-2-[3,5-dimethyl-4-(4'-hydroxy-3'-iso-propylbenzyl)phenoxy]methyl-4-(3-chlorophenyl)-2-oxo-2λ5-[1,3,2]-dioxaphosphonane；trans(S)-2-[(3,5-dimethyl-4-(4'-hydroxy-3'-iso-propylbenzyl)phenoxy)methyl]-4-(3-chlorophenyl)-2-oxo-2λ5-[1,3,2]-dioxaphosphonane；4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol；4-[[4-[[(2S,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenol
• CAS: 852948-12-0
• 化学式: C₂₈H₃₂ClO₅P
• 分子量: 514.986
• InChiKey: LGGPZDRLTDGYSQ-WJVKJDHCSA-N

物化性质

• 沸点：
  660.6±55.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  65
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  O-triisopropylsilyl-4-bromo-3,5-dimethylphenol 在 palladium 10% on activated carbon 吡啶 、 正丁基锂 、 三甲基溴硅烷 、 水 、 氢气 、 sodium hydride 、 四乙基氟化铵水合物 、 N,N'-二环己基碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 溶剂黄146 、 乙酸乙酯 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 67.83h， 生成 (2R,4S)-4-(3-chlorophenyl)-2-[(4-{[4-hydroxy-3-(propan-2-yl)phenyl]methyl}-3,5-dimethylphenoxy)methyl]-1,3,2λ5-dioxaphosphinan-2-one 、 (2S,4S)-2-[(3,5-dimethyl-4-(4'-hydroxy-3'-isopropylbenzyl)-phenoxy)methyl]-4-(3-chlorophenyl)-2-oxido[1,3,2]dioxaphosphane
  参考文献：
  名称：

  [EN] NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS
  [FR] NOUVELLES SUBSTANCES THYROMIMETIQUES CONTENANT DU PHOSPHORE

  摘要：

  公开号：

  WO2005051298A3

文献信息

• Novel Phosphinic Acid-Containing Thyromimetics
  申请人：Erion Mark D.

  公开号：US20090028925A1

  公开（公告）日：2009-01-29

  The present invention relates to compounds of phosphonic acid-containing T3 mimetics and monoesters thereof, stereoisomers, pharmaceutically acceptable salts, co-crystals, and prodrugs thereof and pharmaceutically acceptable salts and co-crystals of the prodrugs, as well as their preparation and uses for preventing and/or treating metabolic diseases such as obesity, NASH, hypercholesterolemia and hyperlipidemia, as well as associated conditions such as atherosclerosis, coronary heart disease, impaired glucose tolerance, metabolic syndrome x and diabetes.

  本发明涉及含有磷酸基T3拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟拟
• PREPARATION METHOD OF A CYCLIC PHOSPHONATE COMPOUND
  申请人：GANNEX PHARMA CO., LTD.

  公开号：US20210277039A1

  公开（公告）日：2021-09-09

  A method for preparing the cyclic phosphonate compound of Formula I is described. The method significantly improves the stereoselectivity of the compound with the required configuration.

  描述了一种制备公式I的环磷酸酯化合物的方法。该方法显著提高了具有所需构型的化合物的立体选择性。
• Novel Phosphorus-Containing Thyromimetics
  申请人：Erion Mark D.

  公开号：US20100081634A1

  公开（公告）日：2010-04-01

  The present invention relates to compounds of phosphonic acid-containing T3 mimetics and monoesters thereof, stereoisomers, pharmaceutically acceptable salts, co-crystals, and prodrugs thereof and pharmaceutically acceptable salts and co-crystals of the prodrugs, as well as their preparation and uses for preventing and/or treating metabolic diseases such as obesity, NASH, hypercholesterolemia and hyperlipidemia, as well as associated conditions such as atherosclerosis, coronary heart disease, impaired glucose tolerance, metabolic syndrome x and diabetes.

  本发明涉及含有膦酸的T3模拟物化合物及其单酯、立体异构体、药学上可接受的盐、共晶体和前药及其药学上可接受的盐和共晶体，以及它们的制备和用于预防和/或治疗代谢性疾病，如肥胖症、NASH、高胆固醇血症和高脂血症，以及相关疾病，如动脉粥样硬化、冠心病、糖耐量受损、代谢综合征X和糖尿病的用途。
• Thyromimetics for the treatment of fatty liver diseases
  申请人：Metabasis Therapeutics, Inc.

  公开号：US10925885B2

  公开（公告）日：2021-02-23

  The present invention is directed toward the use of thyromimetic compounds that are thyroid receptor ligands, pharmaceutically acceptable salts thereof, and to prodrugs of these compounds for preventing, treating, or ameliorating fatty liver diseases such as steatosis, non-alcoholic fatty liver disease, and non-alcoholic steatohepatitis.

  本发明的目的是利用作为甲状腺受体配体的拟甲状腺化合物、其药学上可接受的盐以及这些化合物的原药来预防、治疗或改善脂肪肝疾病，如脂肪变性、非酒精性脂肪肝和非酒精性脂肪性肝炎。
• Method of treating glycogen storage disease
  申请人：Viking Therapeutics, Inc.

  公开号：US11202789B2

  公开（公告）日：2021-12-21

  The present disclosure provides methods and compositions for the treatment of hepatic symptoms of glycogen storage diseases through the administration of thyroid hormone receptor agonists. The methods and compositions provided herein are useful in the treatment of hyperlipidemia, hypercholesterolemia, hepatic steatosis, cardiomegaly, hepatomegaly, hepatic fibrosis, and cirrhosis associated with glycogen storage diseases (GSD) and defects of glycogen metabolism. Said compounds may also be useful in the prevention of GSD-related hepatocellular adenoma and hepatocellular carcinoma.

  本公开提供了通过服用甲状腺激素受体激动剂治疗糖原贮积病的肝脏症状的方法和组合物。本文提供的方法和组合物可用于治疗与糖原贮积病（GSD）和糖原代谢缺陷相关的高脂血症、高胆固醇血症、肝脂肪变性、心脏肿大、肝肿大、肝纤维化和肝硬化。上述化合物还可用于预防与 GSD 相关的肝细胞腺瘤和肝细胞癌。