N-[3,5-dibromo-4-[4-hydroxy-5-isopropyl-3-methyl-phenoxy]-2-trifluoromethylphenyl]-malonamic acid | 733802-93-2

• 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: N-[3,5-dibromo-4-[4-hydroxy-5-isopropyl-3-methyl-phenoxy]-2-trifluoromethylphenyl]-malonamic acid
• 英文别名: N-[3,5-dibromo-4-[4-hydroxy-5-isopropyl-3-methylphenoxy]-2-trifluoromethylphenyl]malonamic acid；3-[3,5-dibromo-4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)-2-(trifluoromethyl)anilino]-3-oxopropanoic acid
• CAS: 733802-93-2
• 化学式: C₂₀H₁₈Br₂F₃NO₅
• 分子量: 569.17
• InChiKey: RCAXAUMIXGSCTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  95.9
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-[3,5-dibromo-4-[4-hydroxy-5-isopropyl-3-methylphenoxy]-2-trifluoromethyl-phenyl]-malonamic acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 1.0h， 以42%的产率得到N-[3,5-dibromo-4-[4-hydroxy-5-isopropyl-3-methyl-phenoxy]-2-trifluoromethylphenyl]-malonamic acid
  参考文献：
  名称：

  [EN] SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR
  [FR] LIGANDS ANILIDE SUBSTITUES DESTINES AU RECEPTEUR THYROIDIEN

  摘要：

  公开号：

  WO2004067482A3

文献信息

• Substituted anilide ligands for the thyroid receptor
  申请人：——

  公开号：US20040180940A1

  公开（公告）日：2004-09-16

  Novel thyroid receptor ligands are provided having the general formula I 1 wherein X, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 and R 13 are as defined herein. In addition, a method is provided for preventing, inhibiting or treating diseases or disorders associated with metabolic dysfunction or which are dependent upon the expression of a T 3 regulated gene, wherein a compound as described above is administered in a therapeutically effective amount.

  提供一般式为I1的新型甲状腺受体配体，其中X、R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12和R13如此定义。此外，还提供了一种方法，用于预防、抑制或治疗与代谢功能障碍相关或取决于T3调控基因表达的疾病或疾病，其中上述化合物以治疗有效量的方式给予。
• EP1601641A4
  申请人：——

  公开号：EP1601641A4

  公开（公告）日：2007-03-21
• SUBSTITUTED ANILIDE LIGANDS FOR THE THYROID RECEPTOR
  申请人：Bristol-Myers Squibb Company

  公开号：EP1601641A2

  公开（公告）日：2005-12-07
• US7342127B2
  申请人：——

  公开号：US7342127B2

  公开（公告）日：2008-03-11
• [EN] THYROMIMETRIC COMPOUNDS IN TREATMENT OF DISEASE RELATED TO SONIC HEDGEHOG SIGNALLING<br/>[FR] COMPOSÉS THYROMIMÉTIQUES UTILISÉS DANS LE TRAITEMENT D'UNE MALADIE ASSOCIÉE À LA VOIE DE SIGNALISATION SONIC HEDGEHOG
  申请人：KAROBIO AB

  公开号：WO2009080835A1

  公开（公告）日：2009-07-02

  This invention relates to compounds for the treatment of disease induced, caused or dependent on activation of the Sonic hedgehog pathway, wherein the compound is a thyromimetic lacking inner-ring iodines. Preferably the compound is of formula (I) or a pharmaceutically acceptable ester, amide, solvate or salt thereof, including a salt of such an ester or amide, and a solvate of such an ester, amide or salt, formula (I), wherein G is a group selected from: formula (II) (III) (IV) (IV) and the remaining groups/substituents are as defined herein.