6-[3-(4-methoxyphenyl)chroman-7-yloxy]-3-ethylhexan-3-ol

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 6-[3-(4-methoxyphenyl)chroman-7-yloxy]-3-ethylhexan-3-ol
• 英文别名: 3-ethyl-6-[3-(4-methoxyphenyl)chroman-7-yloxy]hexan-3-ol；3-ethyl-6-[[3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-yl]oxy]hexan-3-ol
• 化学式: C₂₄H₃₂O₄
• 分子量: 384.516
• InChiKey: ZKLLERIBWHOWCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  47.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  刺芒柄花素 在 5%-palladium/activated carbon 、 氢气 、 potassium carbonate 、 magnesium 作用下， 以 四氢呋喃 、 乙醚 、 丙酮 为溶剂， 反应 12.0h， 生成 6-[3-(4-methoxyphenyl)chroman-7-yloxy]-3-ethylhexan-3-ol
  参考文献：
  名称：

  Design and synthesis of 3-arylbenzopyran based non-steroidal vitamin-D₃mimics as osteogenic agents

  摘要：

  在小鼠头盖骨成骨细胞中，1 pM浓度下增强成骨细胞分化，且无固有毒性。

  DOI：

  10.1039/c6md00469e

文献信息

• Efficient and Simple Synthesis of Substituted 3‐Phenyl‐7‐methoxybenzopyrans as Pseudo‐Vitamin‐D₃ Analogs
  作者：Atul Gupta、Suprabhat Ray

  DOI：10.1080/00397910701545056

  日期：2007.9.1

  An efficient and simple synthesis of substituted 3-phenyl-7-methoxybenzo-pyrans as pseudo-vitamin-D-3 analogs in good yields under mild reaction conditions is described.
• In vivo evaluation of substituted 3-phenyl,7-methoxy-benzopyrans as modified estrogens
  作者：Atul Gupta、Govind Keshri、M. M. Singh、Suprabhat Ray

  DOI：10.1007/s00044-009-9169-9

  日期：2010.2

  Substituted 3-phenyl,7-methoxy-benzopyran derivatives and vitamin D-3 (cholecalciferol, 1) were evaluated for their estrogen agonistic and antagonistic activities in immature female Sprague-Dawley rat model. The benzopyran derivatives 17 and 18, which were made as hybrids of estrogen and vitamin D-3 (pseudo vitamin D-3 analogs), showed significant estrogen agonistic activity (up to 48%) and weak estrogen antagonistic activity (up to 6%) at 10 mg/kg, whereas vitamin D-3 showed significant estrogen agonistic (82%) and antagonistic activities (39%) at 10 mg/kg.Substituted 3-phenyl, 7-methoxy-benzopyran derivavtives and vitamin-D3 (Cholecalciferol, 1) were evaluated for their estrogen agonistic and antagonistic activities in mature female Sprague-Dawley rat model. The benzopyran derivatives, which were made as hybrids of estrogen and vitamin-D3 (pseudo vitamin-D3 analogs), showed significant estrogen agonistic activity (upto 48%) and weak estrogen antagonistic activity (upto 6%) at 10 mg kg(-1). Whereas, vitamin-D3 showed significant estrogen agonistic (82%) and antagonistic activities (39%) at 10 mg kg(-1).
• Design and synthesis of 3-arylbenzopyran based non-steroidal vitamin-D₃mimics as osteogenic agents
  作者：Mohd. Imran Ahmad、Dushyant Singh Raghuvanshi、Sarita Singh、Aijaz A. John、Ravi Prakash、Kripa Shankar Nainawat、Divya Singh、Shubhandra Tripathi、Ashok Sharma、Atul Gupta

  DOI：10.1039/c6md00469e

  日期：——

  27benhanced osteoblast differentiation at 1 pM in mouse calvarial osteoblast cells without inherent toxicity.

  在小鼠头盖骨成骨细胞中，1 pM浓度下增强成骨细胞分化，且无固有毒性。