栀子(黄)素A | 21187-73-5

• 物质功能分类: 生物化工 - 提取物 - 植物提取物
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 中文名称: 栀子(黄)素A
• 中文别名: 3,4,5,6,7,8-六甲氧基-5-羟基黄酮；栀子宁
• 英文名称: gardenin A
• 英文别名: Gardenin；5-hydroxy-3',4',5',6,7,8-hexamethoxyflavone；5-hydroxy-6,7,8,3',4',5'-hexamethoxyflavone；5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one；5-Hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-on；5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
• CAS: 21187-73-5
• 化学式: C₂₁H₂₂O₉
• mdl: MFCD00017419
• 分子量: 418.4
• InChiKey: MQBFFYQCZCKSBX-UHFFFAOYSA-N

物化性质

• 熔点：
  162-163°C
• 沸点：
  624.2±55.0 °C(Predicted)
• 密度：
  1.300±0.06 g/cm3(Predicted)
• LogP：
  1.800 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  9

安全信息

• 海关编码：
  2914509090
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  栀子(黄)素A 在 氢碘酸 、 乙酸酐 作用下， 生成 5,6,7,8-tetrahydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one
  参考文献：
  名称：

  Balakrishna; Seshadri, Proceedings - Indian Academy of Sciences, Section A, 1948, # 27, p. 91,102

  摘要：

  DOI：
• 作为产物：
  描述：

  5'-甲氧基川陈皮素 在 三氯化铝 作用下， 以 乙醚 为溶剂， 生成 栀子(黄)素A
  参考文献：
  名称：

  Banerji, J.; Das, B.; Chakrabarty, R., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1988, vol. 27, # 1-12, p. 597 - 599

  摘要：

  DOI：

文献信息

• [EN] ISOTOPE ENHANCED AMBROXOL FOR LONG LASTING AUTOPHAGY INDUCTION<br/>[FR] AMBROXOL À ISOTOPE AMÉLIORÉ POUR INDUCTION D'AUTOPHAGIE DURABLE
  申请人：STC UNM

  公开号：WO2018148113A1

  公开（公告）日：2018-08-16

  The present invention is directed to 13C and/or 2H isotope enhanced ambroxol ("isotope enhanced ambroxol") and its use in the treatment of autophagy infections, especially mycobacterial and other infections, disease states and/or conditions of the lung, such as tuberculosis, especially including drug resistant and multiple drag resistant tuberculosis. Pharmaceutical compositions comprising isotope enhanced amhroxol, alone or in combination with an additional bioactive agent, especially rifamycin antibiotics, including an additional autophagy modulator (an agent which is active to promote or inhibit autophagy), thus being useful against, an autophagy mediated disease state and/or condition), especially an antophagy mediated disease state and/or condition which occurs in the lungs, for example, a Mycobacterium infection. Chronic Obstructive Pulmonary Disease (COPD), asthma, pulmonary fibrosis, cystic fibrosis, Sjogren's disease and lung cancer (small cell and non-small cell lung cancer, among other disease states and/or conditions, especially of the lung. Methods of treating autophagy disease states and/or conditions, especially including autophagy disease states or conditions which occur principally in the lungs of a patient represent a further embodiment of the present invention. An additional embodiment includes methods of synthesizing compounds according to the present invention as otherwise disclosed herein.

  本发明涉及13C和/或2H同位素增强的氨溴索（“同位素增强的氨溴索”）及其在治疗自噬感染，特别是结核分枝杆菌和其他感染、疾病状态和/或肺部疾病条件中的用途，如肺结核，特别是包括耐药和多重耐药结核病。包括同位素增强的氨溴索的药物组合物，单独或与额外的生物活性剂（特别是利福霉素类抗生素，包括额外的自噬调节剂（一种能够促进或抑制自噬的剂），因此对抗自噬介导的疾病状态和/或条件有用），特别是在肺部发生的自噬介导的疾病状态和/或条件，例如分枝杆菌感染。慢性阻塞性肺病（COPD）、哮喘、肺纤维化、囊性纤维化、干燥综合征和肺癌（小细胞和非小细胞肺癌等其他肺部疾病状态和/或条件，特别是肺部疾病状态和/或条件。治疗自噬疾病状态和/或条件的方法，特别包括治疗主要发生在患者肺部的自噬疾病状态或条件的方法，代表本发明的另一实施例。另一实施例包括根据本发明在此披露的其他方法合成化合物的方法。
• USE OF FLAVONE AND FLAVANONE DERIVATIVES IN PREPARATION OF SEDATIVE AND HYPNOTIC DRUGS
  申请人：Jin Yongri

  公开号：US20150196529A1

  公开（公告）日：2015-07-16

  Disclosed is a use of flavones derivatives and flavanone derivatives in preparation of sedative and hypnotic drugs.

  本发明揭示了在制备镇静催眠药物中使用黄酮衍生物和黄酮酮衍生物的用途。
• Tire with rubber containing flavone
  申请人：THE GOODYEAR TIRE & RUBBER COMPANY

  公开号：EP1391327A1

  公开（公告）日：2004-02-25

  The invention relates to a rubber composition and a pneumatic tire having a component comprising a rubber containing the reaction product of a flavone and a methylene donor.

  本发明涉及一种橡胶组合物和充气轮胎，其成分包括含有黄酮和亚甲基供体反应产物的橡胶。
• Polyhydroxylated aromatic compounds for the treatment of amyloidosis and alpha-synuclein fibril diseases
  申请人：Proteotech Inc.

  公开号：EP1808169A2

  公开（公告）日：2007-07-18

  Polyhydroxylated aromatic compounds, and compositions containing them, are useful for the treatment of amyloidosis, especially Alzheimer's disease, and for the treatment of diseases characterized by α-synuclein fibril formation, especially Lewy body disease and Parkinson's disease.

  多羟基芳香族化合物和含有它们的组合物可用于治疗淀粉样变性病，特别是阿尔茨海默病，以及治疗以α-突触核蛋白纤维形成为特征的疾病，特别是路易体病和帕金森病。
• Rubber composition and tire with rubber containing flavone
  申请人：The Goodyear Tire & Rubber Company

  公开号：EP2730431A1

  公开（公告）日：2014-05-14

  A rubber composition comprising a diene based elastomer and an adhesion promoter derived from a flavone, a methylene donor and a methylene acceptor is disclosed. The rubber composition is essentially free of cobalt. Also, a pneumatic tire comprising such a rubber composition is disclosed.

  本发明公开了一种橡胶组合物，该组合物包含一种二烯基弹性体和一种由黄酮、亚甲基供体和亚甲基受体衍生的附着力促进剂。该橡胶组合物基本上不含钴。此外，还公开了一种包含这种橡胶组合物的充气轮胎。