6-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one | 63046-11-7

• 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: 6-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
• 英文别名: 6,4'-Dihydroxy-3'-methoxyflavone；6-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-chromen-4-one；IBSO03569；6-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
• CAS: 63046-11-7
• 化学式: C₁₆H₁₂O₅
• 分子量: 284.268
• InChiKey: KKRDHOHXRPHWRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  76
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 水 作用下， 以 异丙醇 为溶剂， 生成 6-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
  参考文献：
  名称：

  合成4'-羟基黄酮的发现与表征-黄酮家族的新型CK2抑制剂

  摘要：

  人蛋白激酶CK2是最吸引人的酶之一，尽管经过数十年的研究，其功能作用仍不清楚。目前，有大量证据表明CK2抑制剂可以用作治疗癌症，病毒感染和炎性疾病的药物。在这里，我们报告新颖的合成黄酮抑制剂，对CK2具有高活性的4'-羟基黄酮。这些化合物通过基于受体的虚拟筛选进行鉴定，然后在基于生化筛选和分子建模的理论基础上进行化学优化。已证明合成的黄酮衍生物比天然的更有效的CK2抑制剂，

  DOI：

  10.1016/j.bmc.2013.08.013

文献信息

• Methods of diagnosing and treating Alzheimer's disease with S-equol
  申请人：Ausio Pharmaceuticals, LLC

  公开号：US10391079B2

  公开（公告）日：2019-08-27

  The present invention provides a method for diagnosing or determining the risk of developing Alzheimer's disease and for treating Alzheimer's disease with S-equol. An aspect of the present invention includes the use of a direct mitochondrial target engagement biomarker to diagnose or assess the risk of developing Alzheimer's disease. Another aspect of the present invention includes the use of a pharmaceutically effective amount of S-equol to treat or prevent Alzheimer's disease in a subject diagnosed with or determined to be at risk of developing Alzheimer's disease.

  本发明提供了一种诊断或确定阿尔茨海默病发病风险以及用S-喹啉治疗阿尔茨海默病的方法。本发明的一个方面包括使用直接线粒体靶参与生物标记物来诊断或评估阿尔茨海默病的发病风险。本发明的另一方面包括使用药学有效量的S-喹喔啉来治疗或预防被诊断患有或确定有患阿尔茨海默病风险的受试者的阿尔茨海默病。
• Phytoestrogenic Formulations for Alleviation or Prevention of Neurodegenerative Diseases
  申请人：Brinton Diaz Roberta

  公开号：US20080108696A1

  公开（公告）日：2008-05-08

  Select phytoestrogen pharmaceutical compositions and methods of use for promoting neurological health and prevention of age-related neurodegeneration, such as AD, have been developed. These select phytoestrogen formulations are composed of a number of plant-derived estrogenic molecules and/or their structural analogues and exhibit binding preference to ERβ over ERα and agonist activity in the brain. These ERβ-selective phytoestrogen formulations cross the blood-brain-barrier and promote estrogen-associated neurotrophism and neuroprotection mechanisms in the brain, without activating proliferative mechanisms in the reproductive tissues and are therefore devoid of other estrogen-associated problematic aspects. The select phytoestrogen formulations are therapeutically useful to both women and men for sustaining neurological health and preventing age-related cognitive decline and neurodegenerative disorders, such as AD. These are administered enterally, transdermally, transmucosally, intranasally or parenterally, in a dosage effective to prevent or alleviate neuronal damage, effect neuronal regeneration or sustain viability, increase expression of anti-apoptotic proteins, and/or decrease indicators of Alzheimer's Disease. The formulations preferably contain combinations of compounds, and can be formulated for daily, sustained, delayed or weekly/monthly administration. In a preferred embodiment, these are administered to women who are in menopause or post menopausal, most preferably early in menopausal.
• PHYTOESTROGENIC FORMULATIONS FOR ALLEVIATION OR PREVENTION OF MENOPAUSAL SYMPTOMS
  申请人：Brinton Roberta Diaz

  公开号：US20100113586A1

  公开（公告）日：2010-05-06

  Select phytoestrogen pharmaceutical compositions and methods of use for preventing or reducing one or more symptoms associated with pre menopause, menopause, and/or post menopause are described herein. These select phytoestrogen formulations are composed only of two or more plant-derived estrogenic molecules and/or their structural analogues and exhibit binding preference to ERβ over ERα and agonist activity in the brain. These ERβ-selective phytoestrogen formulations cross the blood-brain-barrier and promote estrogen-associated neurotrophism and neuroprotection mechanisms in the brain, without activating proliferative mechanisms in the reproductive tissues and are therefore devoid of other estrogen-associated problematic aspects. The formulations can be administered enterally, transdermally, transmucosally, intranasally or parenterally. The formulations preferably contain combinations of compounds, and can be formulated for daily, sustained, delayed or weekly/monthly administration. In a preferred embodiment, these are administered to women who are in menopause or post menopausal, most preferably early in menopausal.
• PHYTOESTROGENIC FORMULATIONS FOR ALLEVIATION OR PREVENTION OF HAIR LOSS
  申请人：Brinton Roberta Diaz

  公开号：US20110091435A1

  公开（公告）日：2011-04-21

  Select phytoestrogen pharmaceutical compositions and methods of use for preventing or reducing one or more symptoms associated with hair loss or prostate cancer/prostate hypertrophy are described herein. These select phytoestrogen formulations are preferably composed only of two or more plant-derived estrogenic molecules and/or their structural analogues and exhibit binding preference to ERβ over ERα and agonist activity in non-reproductive tissues including brain.
• PHYTOESTROGENIC FORMULATIONS FOR ALLEVIATION OR PREVENTION OF NEURODEGENERATIVE DISEASES
  申请人：Brinton Roberta Diaz

  公开号：US20120164122A1

  公开（公告）日：2012-06-28

  Select phytoestrogen pharmaceutical compositions and methods of use for promoting neurological heath and prevention of age-related neurodegeneration, such as AD, have been developed. These select phytoestrogen formulations are composed of a number of plant-derived estrogenic molecules and/or their structural analogues and exhibit binding preference to ERβ over ERα and agonist activity in the brain. These ERβ-selective phytoestrogen formulations cross the blood-brain-barrier and promote estrogen-associated neurotrophism and neuroprotections mechanisms in the brain, without activating proliferative mechanisms in the reproductive tissues and are therefore devoid of other estrogen-associated problematic aspects. These are administered enterally, transdermally, transmucosally, intranasally or parenterally, in a dosage effective to prevent or alleviate neuronal damage, effect neuronal regeneration or sustain viability, increase expression of anti-apoptotic proteins, and/or decrease indicators of Alzheimer's Disease.