2-(4-methoxyphenyl)-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid | 90101-80-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2-(4-methoxyphenyl)-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid
• 英文别名: 4'-methoxy-3-methylflavone-8-carboxylic acid；2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carboxylic acid
• CAS: 90101-80-7
• 化学式: C₁₈H₁₄O₅
• 分子量: 310.306
• InChiKey: PZWBLHGVOJCBGS-UHFFFAOYSA-N

物化性质

• 沸点：
  513.4±50.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-methoxyphenyl)-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid 生成 2-(4-Methoxyphenyl)-8-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propylcarbamoyl}-3-methyl-4-oxo-4H-1-benzopyran
  参考文献：
  名称：

  Bicyclic heterocyclic derivatives having .alpha..sub.1 adrenergic and

  摘要：

  这项发明提供了用于治疗高血压、尿道和下尿道收缩以及其他疾病的双环杂环衍生物及其药用盐。这些化合物还可用于体外或体内结合α1-肾上腺素能和5HT1A-5-羟色胺能受体。

  公开号：

  US05605896A1
• 作为产物：
  描述：

  2-(4-Methoxyphenyl)-3-methyl-8-(prop-1-en-1-yl)-4H-chromen-4-one 生成 2-(4-methoxyphenyl)-3-methyl-4-oxo-4H-1-benzopyran-8-carboxylic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• N-substituted flavone-8-carboxamides
  申请人：Hokuriku Pharmaceutical Co., Ltd.

  公开号：US04525356A1

  公开（公告）日：1985-06-25

  Derivatives of N-substituted flavone-8-carboxamides represented by general formula (I) ##STR1## wherein R.sub.1 represents a hydrogen atom, a methyl group or an ethyl group, R.sub.2 represents a hydrogen atom, a lower alkyl group, a lower alkoxyl group, a halogen atom or a nitro group, R.sub.3 represents a hydrogen atom or a lower alkyl group, k represents 0, 1, 2, or 3, m represents 0 or 1; X and Y, which must be different, represent a hydrogen atom or methyl group. A represents an amino group having the formula ##STR2## wherein, R.sub.4 and R.sub.5, which may be the same or different, represent a lower alkyl group or a cyclic amino group together with the nitrogen atom and with or without an oxygen atom, R.sub.6 represents a lower alkyl group and n represents 2 or 3, are disclosed, as well as pharmaceutical compositions thereof and method of treating therewith. The N-substituted flavone-8-carboxamides derivatives are useful as agents for treatment of dysurea.

  式(I)所表示的N-取代黄酮-8-甲酰胺衍生物，其中R1表示氢原子、甲基或乙基，R2表示氢原子、低级烷基、低级烷氧基、卤素原子或硝基，R3表示氢原子或低级烷基，k表示0、1、2或3，m表示0或1；X和Y必须不同，表示氢原子或甲基。A表示具有式(II)的氨基，其中，R4和R5可以相同或不同，表示低级烷基或与氮原子一起形成的有或无氧原子的环状氨基，R6表示低级烷基，n表示2或3。这些衍生物以及含有它们的药物组合物和使用它们的治疗方法被公开。N-取代黄酮-8-甲酰胺衍生物作为治疗尿潴留的药物是有用的。
• Bicyclic heterocyclic derivatives having .alpha..sub.1 -adrenergic and
  申请人：Recordati S.A., Chemical and Pharmaceutical Company

  公开号：US05474994A1

  公开（公告）日：1995-12-12

  This invention provides bicyclic heterocyclic derivatives and their pharmaceutically acceptable salts useful for the treatment of hypertension, urethral and lower urinary tract contractions, and other disorders. The compounds are also useful for binding .alpha..sub.1 -adrenergic and 5HT.sub.1A serotonergic receptors, in vitro or in vivo.

  本发明提供了双环杂环衍生物及其药学上可接受的盐，用于治疗高血压、尿道和下泌尿道收缩以及其他疾病。这些化合物还可用于体内或体外结合α1-肾上腺素能和5HT1A-5-羟色胺能受体。
• Methylflavone-8-carboxylates
  申请人：Nippon Shinyaku Co. Ltd.

  公开号：US04594345A1

  公开（公告）日：1986-06-10

  3-methylflavone derivatives which are useful in the treatment of allergies, asthma and inflammation.

  3-甲基黄酮衍生物在过敏、哮喘和炎症的治疗中有用。
• Heterobicyclic compounds as antagogists of alpha-1 adrenergic and SHT1A receptors
  申请人：RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY

  公开号：EP0558245A1

  公开（公告）日：1993-09-01

  There are disclosed compounds of the general formula The heteroatom X is preferably oxygen, but may have other values. The group W is preferably a carbonyl group, but may have other values. The preferred heterocyclic ring is thus a 4-oxo-4H-1-benzopyran ring. This may have a wide range of R₂, R₃, R₆ and R₇ substituents. Y is a linking group, chosen from a wide range, but including -COO- , -CONH- , -O- , -SO₂- and -SO₂NH-. Z is an alkylene chain, and B is a complex amine. These compounds and their prodrugs, enantiomers, diastereoisomers, N-oxides and pharmaceutically acceptable salts are useful for the treatment of hypertension and urinary tract troubles associated with benign prostatic hypertrophy, and for the treatment of other diseases.

  已公开的化合物通式如下 杂原子 X 最好是氧，但也可以有其他值。基团 W 最好是羰基，但也可以有其他值。因此，优选的杂环是 4-氧代-4H-1-苯并吡喃环。它可以有多种 R₂、R₃、R₆ 和 R₇ 取代基。Y 是连接基团，可选范围很广，但包括-COO-、-CONH-、-O-、-SO₂- 和-SO₂NH-。Z 是亚烷基链，B 是复合胺。这些化合物及其原药、对映体、非对映异构体、N-氧化物和药学上可接受的盐类可用于治疗与良性前列腺肥大相关的高血压和尿路问题，也可用于治疗其他疾病。
• EHNOMOTO, XIROSI;NOMURA, TADAESI;AOYANAGI, JOSIAKI;TATAMIXIRAKI, SEITI;MU+
  作者：EHNOMOTO, XIROSI、NOMURA, TADAESI、AOYANAGI, JOSIAKI、TATAMIXIRAKI, SEITI、MU+

  DOI：——

  日期：——