(3,5-dibromo-4-(5-isopropyl-4-methoxy-2-(3-(3-oxo-pent-1-enyl)-benzoyl)-phenoxy)-phenyl)-acetic acid methyl ester

• 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: (3,5-dibromo-4-(5-isopropyl-4-methoxy-2-(3-(3-oxo-pent-1-enyl)-benzoyl)-phenoxy)-phenyl)-acetic acid methyl ester
• 英文别名: methyl 2-[3,5-dibromo-4-[4-methoxy-2-[3-[(E)-3-oxopent-1-enyl]benzoyl]-5-propan-2-ylphenoxy]phenyl]acetate
• 化学式: C₃₁H₃₀Br₂O₆
• 分子量: 658.384
• InChiKey: JZPXDCMLNNIZOW-ZHACJKMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  78.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (3,5-dibromo-4-(5-isopropyl-4-methoxy-2-(3-(3-oxo-pent-1-enyl)-benzoyl)-phenoxy)-phenyl)-acetic acid methyl ester 以44 mg (80%)的产率得到(3,5-dibromo-4-(5-isopropyl-4-methoxy-2-(3-(3-oxo-pent-1-enyl)-benzoyl)-phenoxy)-phenyl)-acetic acid
  参考文献：
  名称：

  Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders

  摘要：

  提供了新型糖皮质激素和甲状腺受体配体，其具有一般式（I）：其中R1为脂肪烃、芳香烃、羧酸或其酯、烯基羧酸或其酯、羟基、卤素、或氰基，或其药用可接受的盐。R2和R3相同或不同，为氢、卤素、1至4碳的烷基，或3至5碳的环烷基，R2和R3中至少一个不是氢。X为羰基或亚甲基。R4为脂肪烃、芳香烃或杂环芳烃。Y为羟基、甲氧基、氨基或烷基氨基。n为0至4的整数。还公开了使用这些化合物治疗与代谢功能障碍有关或依赖于糖皮质激素或甲状腺受体基因表达的疾病的方法，例如糖尿病、高胆固醇血症或肥胖症。

  公开号：

  US06492424B1
• 作为产物：
  描述：

  (3,5-dibromo-4-(2-(3-iodo-benzoyl)-5-isopropyl-4-methoxy-phenoxy)-phenyl)-acetic acid methyl ester 、 1-戊烯-3-酮 在 palladium diacetate 三乙胺 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以56 mg (60%)的产率得到(3,5-dibromo-4-(5-isopropyl-4-methoxy-2-(3-(3-oxo-pent-1-enyl)-benzoyl)-phenoxy)-phenyl)-acetic acid methyl ester
  参考文献：
  名称：

  Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders

  摘要：

  提供了新型糖皮质激素和甲状腺受体配体，其具有一般式（I）：其中R1为脂肪烃、芳香烃、羧酸或其酯、烯基羧酸或其酯、羟基、卤素、或氰基，或其药用可接受的盐。R2和R3相同或不同，为氢、卤素、1至4碳的烷基，或3至5碳的环烷基，R2和R3中至少一个不是氢。X为羰基或亚甲基。R4为脂肪烃、芳香烃或杂环芳烃。Y为羟基、甲氧基、氨基或烷基氨基。n为0至4的整数。还公开了使用这些化合物治疗与代谢功能障碍有关或依赖于糖皮质激素或甲状腺受体基因表达的疾病的方法，例如糖尿病、高胆固醇血症或肥胖症。

  公开号：

  US06492424B1

文献信息

• GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS
  申请人：KARO BIO AB

  公开号：EP1102739A1

  公开（公告）日：2001-05-30
• US6492424B1
  申请人：——

  公开号：US6492424B1

  公开（公告）日：2002-12-10
• [EN] GLUCOCORTICOID AND THYROID HORMONE RECEPTOR LIGANDS FOR THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] LIGANDS DU RECEPTEUR D'HORMONES THYROIDIENNE ET GLUCOCORTICOIDE UTILISES POUR LE TRAITEMENT DES TROUBLES DU METABOLISME
  申请人：KAROBIO AB

  公开号：WO2000007972A1

  公开（公告）日：2000-02-17

  Novel glucocorticoid and thyroid receptor ligands as provided which have the general formula (I) in which: R1 is an aliphatic hydrocarbon, an aromatic hydrocarbon, carboxylic acid or ester thereof, alkenyl carboxylic acid or ester thereof, hydroxy, halogen, or cyano, or a pharmaceutically acceptable salt thereof. R2 and R3 are the same or different and are hydrogen, halogen, alkyl of 1 to 4 carbons or cycloalkyl of 3 to 5 carbons, at least one of R2 and R3 being other than hydrogen. X is carbonyl or methylene. R4 is an aliphatic, aromatic, or heteroaromatic. Y is hydroxyl, methoxy, amino, or alkyl amino. n is an integer from 0 to 4. A method for treating diseases associated with metabolism dysfunction or which are dependent on the expression of a glucocorticoid or thyroid receptor gene (such as diabetes, hypercholesterolemia, or obesity) using these compounds is also disclosed.
• Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders
  申请人：Karo Bio AB

  公开号：US06492424B1

  公开（公告）日：2002-12-10

  Novel glucocorticoid and thyroid receptor ligands as provided which have the general formula (I): in which R1 is an aliphatic hydrocarbon, an aromatic hydrocarbon, carboxylic acid or ester thereof, alkenyl carboxylic acid or ester thereof, hydroxy, halogen, or cyano, or a pharmaceutically acceptable salt thereof. R2 and R3 are the same or different, and are hydrogen, halogen, alkyl of 1 to 4 carbons, or cycloalkyl of 3 to 5 carbons, at least one of R2 and R3 being other than hydrogen. X is carbonyl or methylene. R4 is an aliphatic, aromatic or heteroaromatic. Y is hydroxyl, methoxy, amino, or alkyl amino. n is an integer from 0 to 4. A method for treating diseases associated with metabolism dysfunction or which are dependent on the expression of a glucocorticoid or thyroid receptor gene such as diabetes, hypercholesterolemia, or obesity using these compounds is also disclosed.

  提供了新型糖皮质激素和甲状腺受体配体，其具有一般式（I）：其中R1为脂肪烃、芳香烃、羧酸或其酯、烯基羧酸或其酯、羟基、卤素、或氰基，或其药用可接受的盐。R2和R3相同或不同，为氢、卤素、1至4碳的烷基，或3至5碳的环烷基，R2和R3中至少一个不是氢。X为羰基或亚甲基。R4为脂肪烃、芳香烃或杂环芳烃。Y为羟基、甲氧基、氨基或烷基氨基。n为0至4的整数。还公开了使用这些化合物治疗与代谢功能障碍有关或依赖于糖皮质激素或甲状腺受体基因表达的疾病的方法，例如糖尿病、高胆固醇血症或肥胖症。