7-hydroxy-3-methyl-chromone | 57646-00-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 7-hydroxy-3-methyl-chromone
• 英文别名: 7-hydroxy-3-methyl-4H-chromen-4-one；7-hydroxy-3-methylchromen-4-one
• CAS: 57646-00-1
• 化学式: C₁₀H₈O₃
• 分子量: 176.172
• InChiKey: FWOKQMRLMJNHPM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-hydroxy-3-methyl-chromone 在 potassium dioxotetrahydroxoosmate(VI) 、 甲基磺酰胺 (DHQ)2-PHAL 、 potassium carbonate 、 N,N-二乙基苯胺 、 potassium iodide 、 potassium hexacyanoferrate(III) 作用下， 以 N,N-二甲基甲酰胺 、 叔丁醇 为溶剂， 生成 3'R,4'R-dihydroxy-3,2',2'-trimethylpyrano[2,3-f]chromone
  参考文献：
  名称：

  抗艾滋病剂。60.取代的3′R，4′R-二-O-（-）-樟脑酰基-2′，2′-二甲基二氢吡喃并[2，3-f]色酮（DCP）类似物作为有效的抗HIV剂。

  摘要：

  位置异构体的合成是药物设计中常用的技术。因此，根据先前对3'R，4'R-di-O-（S）-樟脑酰基-（+）-顺式-甲壳酮（DCK，1）类似物的SAR研究，一系列的单或双取代色酮衍生物设计并合成了3'R，4'R-di-O-（-）-樟脑酰基-2'，2'-二甲基二氢吡喃并[2,3-f]色酮（DCP，4）。连同1和4-甲基DCK（2）一起，对所有新合成的DCP类似物（4-21）筛选针对H9淋巴细胞中的非耐药菌株和多重逆转录酶（RT）的抗HIV-1活性。 MT4细胞系中具有抗抑制剂作用的菌株。几种DCP类似物（4、5、7、8、13和17）在非耐药菌株测定中显示出极高的抗HIV活性，EC（50）值在0.00032至0之间。0057 microM和显着的治疗指数（TI）从5.6 x 10（3）到1.16 x 10（5），与2的相似（EC（50）0.0059 microM，TI> 6.6 x 10（3））和优于1（EC（50）0

  DOI：

  10.1021/jm0400505
• 作为产物：
  描述：

  7-hydroxy-3-methyl-4-oxo-4H-chromene-2-carboxylic acid 生成 7-hydroxy-3-methyl-chromone
  参考文献：
  名称：

  Clerc-Bory et al., Bulletin de la Societe Chimique de France, 1955, p. 1083,1085

  摘要：

  DOI：

文献信息

• 4-p-fluorobenzoyl-1-piperidinyl-propoxy-chromen-4-one derivatives, their
  申请人：Ferrer Internacional, S.A.

  公开号：US05643927A1

  公开（公告）日：1997-07-01

  The present invention relates to new chromene compounds of the general formula (I): ##STR1## wherein R.sub.1 and R.sub.2 are hydrogen, alkyl having from 1 to 4 carbon atoms, halogen, trifluoromethyl, optionally substituted phenyl, or hydroxymethyl, as well as their pharmaceutically acceptable addition salts. These compounds are useful in the treatment of psychosis and schizophrenia.

  本发明涉及一般式（I）的新的咔咯酮化合物：其中R₁和R₂为氢、具有1至4个碳原子的烷基、卤素、三氟甲基、可选取代的苯基或羟甲基，以及它们的药用可接受的加合物盐。这些化合物在治疗精神病和精神分裂症中有用。
• Development of 3-alkyl-6-methoxy-7-hydroxy-chromones (AMHCs) from natural isoflavones, a new class of fluorescent scaffolds for biological imaging
  作者：Jianzhuang Miao、Huaqing Cui、Jing Jin、Fangfang Lai、Hui Wen、Xiang Zhang、Gian Filippo Ruda、Xiaoguang Chen、Dali Yin

  DOI：10.1039/c4cc06762b

  日期：——

  A new class of fluorophores 3-alkyl-6-methoxy-7-hydroxy-chromones (AMHCs) is developed and is suitable as reagents for biological imaging.

  一种新型荧光物质3-烷基-6-甲氧基-7-羟基-香豆素（AMHCs）已开发，并适用于生物成像试剂。
• Dairyl-substituted five-membered heterocycle derivative
  申请人：Hirata Yukari

  公开号：US20070173507A1

  公开（公告）日：2007-07-26

  The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了由公式（I）所表示的化合物：（I）或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1代表公式（II-1）：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，A环代表苯基等，具有mGluR1抑制作用，适用于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性脑缺血发作、精神疾病如精神分裂症、焦虑、药物依赖、帕金森病或胃肠道疾病。
• DIARYL-SUBSTITUTED FIVE-MEMBERED HETEROCYCLE DERIVATIVE
  申请人：Hirata Yukari

  公开号：US20110160208A1

  公开（公告）日：2011-06-30

  The present invention provides the compounds represented by formula (I): or pharmaceutical salts thereof, wherein: X 1 represents oxygen atoms and the like, X 2 represents nitrogen atoms and the like, X 3 represents nitrogen atoms and the like, X 4 represents nitrogen atoms and the like, R 1 represents formula (II-1): wherein X 5 represents sulfur atoms and the like, A 1 represents carbon atoms and the like, A 2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being useful for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了以下式子(I)所代表的化合物或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1代表式子(II-1)：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，环A代表苯基等，具有mGluR1抑制作用，并且对于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑部疾病如脑梗死或短暂性缺血性发作、精神障碍如精神分裂症、焦虑、药物依赖、帕金森病或胃肠疾病有用。
• Diaryl-substituted five-membered heterocycle derivative
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07902369B2

  公开（公告）日：2011-03-08

  The present invention provides the compounds represented by formula (I): (I) or pharmaceutical salts thereof, wherein: X1 represents oxygen atoms and the like, X2 represents nitrogen atoms and the like, X3 represents nitrogen atoms and the like, X4 represents nitrogen atoms and the like, R1 represents formula (II-1): wherein X5 represents sulfur atoms and the like, A1 represents carbon atoms and the like, A2 represents nitrogen atoms and the like and A ring represents phenyl group and the like, having mGluR1 inhibiting effect, and being usefull for preventing or treating convulsion, acute pain, inflammatory pain, chronic pain, brain disorder such as cerebral infarction or transient ischemick attack, psychotic disorder such as schizophrenia, anxiety, drug dependence, Parkinson's disease, or gastrointestinal disorder.

  本发明提供了由式(I)表示的化合物或其药物盐，其中：X1代表氧原子等，X2代表氮原子等，X3代表氮原子等，X4代表氮原子等，R1表示公式(II-1)：其中X5代表硫原子等，A1代表碳原子等，A2代表氮原子等，A环表示苯基等，具有mGluR1抑制作用，并且对于预防或治疗惊厥、急性疼痛、炎症性疼痛、慢性疼痛、脑疾病如脑梗塞或暂时性缺血性发作、精神障碍如精神分裂症、焦虑、药物依赖、帕金森病或胃肠疾病具有用处。