methyl 6-bromo-1-oxo-4-phenyl-1H-isochromene-3-carboxylate | 583837-71-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异香豆素及其衍生物
• 英文名称: methyl 6-bromo-1-oxo-4-phenyl-1H-isochromene-3-carboxylate
• 英文别名: 6-bromo-4-phenylisocoumarin-3-carboxylic acid methyl ester；methyl 6-bromo-1-oxo-4-phenylisochromene-3-carboxylate
• CAS: 583837-71-2
• 化学式: C₁₇H₁₁BrO₄
• 分子量: 359.176
• InChiKey: KCVVKGULKHHXAX-UHFFFAOYSA-N

物化性质

• 沸点：
  483.4±45.0 °C(Predicted)
• 密度：
  1.554±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 6-bromo-1-oxo-4-phenyl-1H-isochromene-3-carboxylate 在 盐酸 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 36.0h， 生成 6-bromo-2-(piperidin-2-ylmethyl)-1-oxo-4-phenyl-1,2-dihydroisoquinoline-3-carboxylic acid methyl ester
  参考文献：
  名称：

  JNK INHIBITOR

  摘要：

  一种含有异喹啉酮骨架或其盐的JNK抑制剂，例如由以下公式表示的化合物： 其中环A和环B分别是可选择取代的苯环，X是-O-，-N=，-NR3-或-CHR3-，R2是酰基，可选择酯化或硫酯化的羧基，可选择取代的氨基甲酰基或可选择取代的氨基等，虚线表示单键或双键，R1是氢原子，可选择取代的碳氢基团，可选择取代的杂环基团等。

  公开号：

  EP1484320A1
• 作为产物：
  描述：

  4-bromo-2-benzoylbenzoic acid potassium salt 在 硫酸 作用下， 以 DMF (N,N-dimethyl-formamide) 、 水 、 丙酮 为溶剂， 反应 37.0h， 生成 methyl 6-bromo-1-oxo-4-phenyl-1H-isochromene-3-carboxylate
  参考文献：
  名称：

  JNK INHIBITOR

  摘要：

  一种含有异喹啉酮骨架或其盐的JNK抑制剂，例如由以下公式表示的化合物： 其中环A和环B分别是可选择取代的苯环，X是-O-，-N=，-NR3-或-CHR3-，R2是酰基，可选择酯化或硫酯化的羧基，可选择取代的氨基甲酰基或可选择取代的氨基等，虚线表示单键或双键，R1是氢原子，可选择取代的碳氢基团，可选择取代的杂环基团等。

  公开号：

  EP1484320A1

文献信息

• [EN] PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF<br/>[FR] COMPOSÉS CONTENANT DE LA PIPÉRIDINE ET LEURS UTILISATIONS
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2010080864A1

  公开（公告）日：2010-07-15

  A method for preventing and/or treating a metabolic disease, cerebrovascular disease, etc. which comprises administering to a mammal an effective amount of the compound of the formula (I) wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof. And a novel compound of the formula (I-1): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof has an anti-diabetic effect and a neuroprotective effect. Accordingly, the compound of the formula (I) and the compound of the formula (I-1) are useful in a method for preventing and/or treating for a metabolic disease such as diabetes, cerebrovascular disease such as stroke, etc.

  一种预防和/或治疗代谢性疾病、脑血管疾病等的方法，包括向哺乳动物施用化合物的有效量，其化学式为(I)，其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂合物或前药。以及化学式(I-1)的新化合物：其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂合物或前药具有抗糖尿病作用和神经保护作用。因此，化合物(I)和化合物(I-1)在预防和/或治疗代谢性疾病如糖尿病、脑血管疾病如中风等方面是有用的。
• Jnk inhibitor
  申请人：Itoh Fumio

  公开号：US20050148624A1

  公开（公告）日：2005-07-07

  A JNK inhibitor containing a compound having an isoquinolinone skeleton or a salt thereof, such as a compound represented by the formula wherein ring A and ring B are each an optionally substituted benzene ring, X is —O—, —N═, —NR 3 — or —CHR 3 —, R 2 is an acyl group, an optionally esterified or thioesterified carboxyl group, an optionally substituted carbamoyl group or an optionally substituted amino group and the like, a broken line shows a single bond or a double bond, and R 1 is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like, and the like.

  含有异喹啉酮骨架或其盐的JNK抑制剂，例如由以下式表示的化合物：其中环A和环B均为可选取代的苯环，X为—O—，—N═，—NR3—或—CHR3—，R2为酰基，可选的酯化或硫酯化羧基，可选的取代的氨基甲酰基或可选的取代的氨基基团等，破折号表示单键或双键，而R1为氢原子，可选的取代的碳氢基团，可选的取代的杂环基团等。
• JNK inhibitor
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07402595B2

  公开（公告）日：2008-07-22

  A JNK inhibitor containing a compound having an isoquinolinone skeleton or a salt thereof, such as a compound represented by the formula wherein ring A and ring B are each an optionally substituted benzene ring, X is —O—, —N═, —NR3— or —CHR3—, R2 is an acyl group, an optionally esterified or thioesterified carboxyl group, an optionally substituted carbamoyl group or an optionally substituted amino group and the like, a broken line shows a single bond or a double bond, and R1 is a hydrogen atom, an optionally substituted hydrocarbon group, an optionally substituted heterocyclic group and the like, and the like.

  一种含有异喹啉酮骨架或其盐的JNK抑制剂，例如由下式表示的化合物：其中环A和环B均为可选取代的苯环，X为—O—、—N═、—NR3—或—CHR3—，R2为酰基、可选酯化或硫酯化的羧基、可选取代的氨基甲酰基或可选取代的氨基基团等，破折号表示单键或双键，R1为氢原子、可选取代的碳氢基团、可选取代的杂环基团等。
• PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF
  申请人：Rodriguez Martha E.

  公开号：US20110275608A1

  公开（公告）日：2011-11-10

  A method for preventing and/or treating a metabolic disease, cerebrovascular disease, etc. which comprises administering to a mammal an effective amount of the compound of the formula (I): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof. And a novel compound of the formula (I-1): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof has an anti-diabetic effect and a neuroprotective effect. Accordingly, the compound of the formula (I) and the compound of the formula (I-1) are useful in a method for preventing and/or treating for a metabolic disease such as diabetes, cerebrovascular disease such as stroke, etc.

  一种预防和/或治疗代谢性疾病、脑血管疾病等的方法，包括向哺乳动物投与公式(I)化合物的有效量：其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂化物或前药。公式(I-1)的新化合物：其中所有符号的含义与规范中定义的相同；其盐、N-氧化物、溶剂化物或前药具有抗糖尿病和神经保护作用。因此，公式(I)和公式(I-1)的化合物在预防和/或治疗代谢性疾病（如糖尿病）、脑血管疾病（如中风）等方面有用。
• Piperidine-containing compounds and use thereof
  申请人：Rodriguez Martha E.

  公开号：US08809538B2

  公开（公告）日：2014-08-19

  A method for preventing and/or treating a metabolic disease, cerebrovascular disease, etc. which comprises administering to a mammal an effective amount of the compound of the formula (I): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof. And a novel compound of the formula (I-1): wherein all symbols have the same meanings as defined in the specification; a salt thereof, an N-oxide thereof, a solvate thereof, or a prodrug thereof has an anti-diabetic effect and a neuroprotective effect. Accordingly, the compound of the formula (I) and the compound of the formula (I-1) are useful in a method for preventing and/or treating for a metabolic disease such as diabetes, cerebrovascular disease such as stroke, etc.

  本发明提供了一种预防和/或治疗代谢性疾病、脑血管疾病等的方法，包括向哺乳动物施用化合物(I)的有效量：其中所有符号的含义均如规范中所定义；其盐、N-氧化物、溶剂化物或前药。化合物(I-1)的新型化合物：其中所有符号的含义均如规范中所定义；其盐、N-氧化物、溶剂化物或前药具有抗糖尿病和神经保护作用。因此，化合物(I)和化合物(I-1)在预防和/或治疗代谢性疾病如糖尿病、脑血管疾病如中风等方面是有用的。