pyridin-3-yl-acetic acid 3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-5-isopropyl-6-oxo-6H-pyridazin-1-ylmethyl ester | 1133711-03-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: pyridin-3-yl-acetic acid 3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-5-isopropyl-6-oxo-6H-pyridazin-1-ylmethyl ester
• 英文别名: [3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenoxy]-6-oxo-5-propan-2-ylpyridazin-1-yl]methyl 2-pyridin-3-ylacetate
• CAS: 1133711-03-1
• 化学式: C₂₅H₁₉Cl₂N₇O₆
• 分子量: 584.375
• InChiKey: GPSRHJUUOQNMKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  167
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(3,5-dichloro-4-((1-(hydroxymethyl)-5-isopropyl-6-oxo-1,6-dihydropyridazin-3-yl)oxy)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile 、 吡啶-3-乙酸盐酸盐 在 O-(N-succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 20.5h， 以22%的产率得到pyridin-3-yl-acetic acid 3-[2,6-dichloro-4-(6-cyano-3,5-dioxo-4,5-dihydro-3H-[1,2,4]triazin-2-yl)-phenoxy]-5-isopropyl-6-oxo-6H-pyridazin-1-ylmethyl ester
  参考文献：
  名称：

  PRODRUGS OF THYROID HORMONE ANALOGS

  摘要：

  本文提供了以下式(I)的化合物： 以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗肥胖、高脂血症、高胆固醇血症和糖尿病等疾病非常有用，也可能对其他疾病如NASH、动脉粥样硬化、心血管疾病、甲状腺功能减退症、甲状腺癌及其他相关疾病和疾病有用。

  公开号：

  US20090082310A1

文献信息

• Prodrugs of thyroid hormone analogs
  申请人：Hoffmann-La Roche Inc.

  公开号：US08076334B2

  公开（公告）日：2011-12-13

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as obesity, hyperlipidemia, hypercholesterolemia and diabetes and other related disorders and diseases, and may be useful for other diseases such as NASH, atherosclerosis, cardiovascular diseases, hypothyroidism, thyroid cancer and other disorders and diseases related thereto.

  本文提供了式(I)的化合物及其药学上可接受的盐，其中取代基如规范中所述。这些化合物及含有它们的药物组合物，用于治疗肥胖症、高脂血症、高胆固醇血症、糖尿病和其他相关疾病，以及可能对NASH、动脉硬化、心血管疾病、甲状腺功能减退症、甲状腺癌和其他相关疾病有用。
• PRODRUGS TO THYROID HORMONE ANALOGS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2203443B1

  公开（公告）日：2014-03-05
• US8076334B2
  申请人：——

  公开号：US8076334B2

  公开（公告）日：2011-12-13
• [EN] PRODRUGS TO THYROID HORMONE ANALOGS<br/>[FR] PROMÉDICAMENTS POUR ANALOGUES DE L'HORMONE THYROÏDIENNE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2009037172A1

  公开（公告）日：2009-03-26

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts and esters thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as obesity, hyperlipidemia, hypercholesterolemia and diabetes and other related disorders and diseases, and may be useful for other diseases such as NASH, atherosclerosis, cardiovascular diseases, hypothyroidism, thyroid cancer and other disorders and diseases related thereto.
• PRODRUGS OF THYROID HORMONE ANALOGS
  申请人：HAYNES NANCY-ELLEN

  公开号：US20090082310A1

  公开（公告）日：2009-03-26

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as obesity, hyperlipidemia, hypercholesterolemia and diabetes and other related disorders and diseases, and may be useful for other diseases such as NASH, atherosclerosis, cardiovascular diseases, hypothyroidism, thyroid cancer and other disorders and diseases related thereto.

  本文提供了以下式(I)的化合物： 以及其药学上可接受的盐，其中取代基如规范中所披露的那样。这些化合物及含有它们的药物组合物对于治疗肥胖、高脂血症、高胆固醇血症和糖尿病等疾病非常有用，也可能对其他疾病如NASH、动脉粥样硬化、心血管疾病、甲状腺功能减退症、甲状腺癌及其他相关疾病和疾病有用。