1-[2-Methyl-4-(tetrahydro-pyran-2-yloxy)-phenyl]-ethanone | 364333-67-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[2-Methyl-4-(tetrahydro-pyran-2-yloxy)-phenyl]-ethanone
• 英文别名: 1-[2-Methyl-4-(oxan-2-yloxy)phenyl]ethanone
• CAS: 364333-67-5
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: NEMJYOQATSQALE-UHFFFAOYSA-N

物化性质

• 沸点：
  386.2±42.0 °C(Predicted)
• 密度：
  1.090±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[2-Methyl-4-(tetrahydro-pyran-2-yloxy)-phenyl]-ethanone 在 sodium hydroxide 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 34.0h， 生成 3-Methyl-4-[4-phenyl-6-(propyl-pyridin-2-ylmethyl-amino)-pyridin-2-yl]-phenol
  参考文献：
  名称：

  2-Amino-4,6-diarylpyridines as novel ligands for the estrogen receptor

  摘要：

  We have prepared a novel series of 2-amino-4,6-diarylpyridines that function as ligands of estrogen receptor alpha (ER alpha) and estrogen receptor beta (ER beta). These compounds bind to both ER alpha and ER beta with a modest selectivity for the alpha subtype. The most potent of these analogues, compound 19, has a K-i = 20nM at ER alpha. These molecules represent a novel template for designing potentially useful ligands for the estrogen receptor. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00321-3
• 作为产物：
  描述：

  3,4-二氢-2H-吡喃 、 4'-羟基-2'-甲基苯乙酮 在 硫酸 、 silica gel 作用下， 以 二氯甲烷 为溶剂， 反应 0.25h， 生成 1-[2-Methyl-4-(tetrahydro-pyran-2-yloxy)-phenyl]-ethanone
  参考文献：
  名称：

  2-Amino-4,6-diarylpyridines as novel ligands for the estrogen receptor

  摘要：

  We have prepared a novel series of 2-amino-4,6-diarylpyridines that function as ligands of estrogen receptor alpha (ER alpha) and estrogen receptor beta (ER beta). These compounds bind to both ER alpha and ER beta with a modest selectivity for the alpha subtype. The most potent of these analogues, compound 19, has a K-i = 20nM at ER alpha. These molecules represent a novel template for designing potentially useful ligands for the estrogen receptor. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00321-3

文献信息

• Aminopyridine derivatives as estrogen receptor modulators
  申请人：——

  公开号：US20040152688A1

  公开（公告）日：2004-08-05

  Aminopyridine derivatives of the following formula I which exhibit pharmacological activity at estrogen receptors alpha (ER&agr;) and beta (ER&bgr;) are described herein. The described invention also includes compositions and medicaments containing the aminopyridine derivatives as well as processes for the preparation and use of such compounds, compositions and medicaments.

  本文描述了在雌激素受体α（ER&agr;）和β（ER&bgr;）上表现出药理活性的下式I的氨基吡啶衍生物。所述发明还包括含有氨基吡啶衍生物的组合物和药物，以及制备和使用此类化合物、组合物和药物的工艺。
• Development of AC265347‐Inspired Calcium‐Sensing Receptor Ago‐Positive Allosteric Modulators
  作者：Le Vi Dinh、Aaron DeBono、Andrew N. Keller、Tracy M. Josephs、Karen J. Gregory、Katie Leach、Ben Capuano

  DOI：10.1002/cmdc.202100368

  日期：2021.11.19

  AbstractThe calcium‐sensing receptor (CaSR) is a clinical target in the treatment of hyperparathyroidism and related diseases. However, clinical use of approved CaSR‐targeting drugs such as cinacalcet is limited due to adverse side effects including hypocalcaemia, nausea and vomiting, and in some instances, a lack of efficacy. The CaSR agonist and positive allosteric modulator (ago‐PAM), AC265347, is chemically distinct from clinically‐approved CaSR PAMs. AC265347 potently suppressed parathyroid hormone (PTH) release in rats with a lower propensity to cause hypocalcaemia compared to cinacalcet and may therefore offer benefits over current CaSR PAMs. Here we report a structure activity relationship (SAR) study seeking to optimise AC265347 as a drug candidate and disclose the discovery of AC265347‐like compounds with diverse pharmacology and improved physicochemical and drug‐like properties.
• US7276523B2
  申请人：——

  公开号：US7276523B2

  公开（公告）日：2007-10-02