cis (S)-2-[(4-(4'-acetoxy-3'-iso-propylbenzyl)-3,5-dimethylphenoxy)methyl]-4-(3-chlorophenyl)-2-oxo-2λ5-[1,3,2]-dioxaphosphonane | 852950-33-5

• 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: cis (S)-2-[(4-(4'-acetoxy-3'-iso-propylbenzyl)-3,5-dimethylphenoxy)methyl]-4-(3-chlorophenyl)-2-oxo-2λ5-[1,3,2]-dioxaphosphonane
• 英文别名: cis(S)-2-[(4-(4'-acetoxy-3'-iso-propylbenzyl)-3,5-dimethylphenoxy)methyl]-4-(3-chlorophenyl)-2-oxo-2λ5-[1,3,2]-dioxaphosphonane；[4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenyl] acetate；[4-[[4-[[(2R,4S)-4-(3-chlorophenyl)-2-oxo-1,3,2λ5-dioxaphosphinan-2-yl]methoxy]-2,6-dimethylphenyl]methyl]-2-propan-2-ylphenyl] acetate
• CAS: 852950-33-5
• 化学式: C₃₀H₃₄ClO₆P
• 分子量: 557.023
• InChiKey: QFXHEEMAWAHMFS-SXSCYYOBSA-N

物化性质

• 沸点：
  663.0±55.0 °C(Predicted)
• 密度：
  1.26±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cis (S)-2-[(4-(4'-acetoxy-3'-iso-propylbenzyl)-3,5-dimethylphenoxy)methyl]-4-(3-chlorophenyl)-2-oxo-2λ5-[1,3,2]-dioxaphosphonane 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 3.5h， 以83%的产率得到(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
  参考文献：
  名称：

  Novel Phosphinic Acid-Containing Thyromimetics

  摘要：

  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

  公开号：

  US20090028925A1

文献信息

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

  公开号：US20090118236A1

  公开（公告）日：2009-05-07

  The present invention relates to compounds of phosphonic acid containing T3 mimetics, 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 syndromex and diabetes.

  本发明涉及含有T3类似物的膦酸化合物、立体异构体、药学上可接受的盐、共晶体和其前药物，以及前药物的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。
• [EN] NOVEL PHOSPHORUS-CONTAINING THYROMIMETICS<br/>[FR] NOUVELLES SUBSTANCES THYROMIMETIQUES CONTENANT DU PHOSPHORE
  申请人：METABASIS THERAPEUTICS INC

  公开号：WO2005051298A3

  公开（公告）日：2005-08-11
• Thyromimetics for the Treatment of Fatty Liver Diseases
  申请人：CABLE Edward E.

  公开号：US20170112864A1

  公开（公告）日：2017-04-27

  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.