[(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate | 162490-89-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [(1S,2S)-2-[[2,2-dimethylpropyl(nonyl)carbamoyl]amino]cyclohexyl] 3-[[(4R)-2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl]amino]propanoate
• CAS: 162490-89-3
• 化学式: C₃₃H₆₁N₃O₆
• 分子量: 595.9
• InChiKey: NWLFOBZKYXKBOF-NSVAZKTRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  42
• 可旋转键数：
  17
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

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
• 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。
• Novel phosphorus-containing thyromimetics
  申请人：Erion D. Mark

  公开号：US20060046980A1

  公开（公告）日：2006-03-02

  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基的T3类似物化合物及其单酯体、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x和糖尿病。
• Novel Sulfonic Acid-Containing Thyromimetics, and Methods for Their Use
  申请人：Boyer Serge H.

  公开号：US20120046364A1

  公开（公告）日：2012-02-23

  The present invention relates to sulfonic acid containing compounds of formula IB, in which G, R 1 , R 3 and T are as defined in the claims, that bind to thyroid receptors in the liver. Activation of these receptors results in modulation of gene expression of genes regulated by thyroid hormones. The compounds can be used to treat diseases and disorders including 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.

  本发明涉及公式IB的含有磺酸基团的化合物，其中G、R1、R3和T如权利要求所定义，这些化合物与肝脏中的甲状腺受体结合。激活这些受体会导致调节由甲状腺激素调节的基因表达。这些化合物可用于治疗代谢性疾病和紊乱，包括肥胖症、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、代谢综合症X和糖尿病。
• Absorption-enhancing composition for pantothenic acid derivative
  申请人：FUJIREBIO INC.

  公开号：EP0998927A1

  公开（公告）日：2000-05-10

  A composition showing an improved bioavailability rate of pantothenic acid derivatives represented by the following general formula and improved storage stability and being applicable as drugs over an enlarged range: wherein R1 and R2 are the same or different and each represents a hydrogen atom or a hydroxyl-protective group; R3 represents a saturated or unsaturated, linear, branched or cyclic C5-25 monovalent aliphatic hydrocarbon group optionally substituted by an aromatic group, or an amino group represented by the formula -N(R4)R5 (wherein R4 represents a saturated or unsaturated, linear, branched or cyclic C5-25 monovalent aliphatic hydrocarbon group; and R5 represents a hydrogen atom or a saturated or unsaturated, linear, branched or cyclic monovalent aliphatic hydrocarbon group optionally substituted by an aromatic group); A represents a saturated or unsaturated, linear, branched or cyclic C2-16 divalent aliphatic hydrocarbon group, divalent aromatic hydrocarbon group or divalent heteroaryl group optionally substituted by an aromatic group; one of X and Y represents an amino group represented by the formula -N(R6)- while the other represents -O-, -S- or an amino group represented by the formula -N(R7)- (wherein R6 and R7 represent each a hydrogen atom or a lower alkyl group); and n is an integer of from 1 to 4. The pantothenic acid derivative represented by the above general formula (I) is dissolved in a neutral or alcoholic ester and a nonionic surfactant is added thereto to give the absorption-enhancing composition.

  一种通式如下的泛酸衍生物组合物，其生物利用率有所提高，贮存稳定性有所改善，可在更大范围内作为药物使用： 其中 R1 和 R2 相同或不同，各自代表氢原子或羟基保护基团； R3 代表饱和或不饱和、线性、支链或环状 C5-25 单价脂肪族烃基，可选择被芳香族基团取代，或由式 -N(R4)R5 所代表的氨基（其中 R4 代表饱和或不饱和、线性、支链或环状 C5-25 单价脂肪族烃基；R5 代表氢原子或饱和或不饱和、线性、支链或环状单价脂肪族烃基，可选择被芳香族基团取代）； A 代表饱和或不饱和、线性、支链或环状 C2-16 二价脂肪族烃基、二价芳香族烃基或任选被芳香族基团取代的二价杂芳基； X 和 Y 中的一个代表由式-N(R6)-表示的氨基，而另一个代表-O-、-S-或由式-N(R7)-表示的氨基（其中 R6 和 R7 分别代表氢原子或低级烷基）；以及 将上述通式（I）所代表的泛酸衍生物溶解在中性酯或醇酯中，再加入非离子表面活性剂，即可得到增强吸收的组合物。