9H-fluoren-9-ylmethyl {4-[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]tetrahydro-2H-pyran-4-yl}carbamate | 1132879-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 9H-fluoren-9-ylmethyl {4-[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]tetrahydro-2H-pyran-4-yl}carbamate
• 英文别名: 9H-fluoren-9-ylmethyl N-[4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]oxan-4-yl]carbamate
• CAS: 1132879-16-3
• 化学式: C₃₇H₄₂N₂O₄S
• 分子量: 610.817
• InChiKey: OMVRVFULFSVTSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  9H-fluoren-9-ylmethyl {4-[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]tetrahydro-2H-pyran-4-yl}carbamate 在 二乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 4-[2-(4-aminotetrahydro-2H-pyran-4-yl)-1,3-thiazol-4-yl]-2,6-di-tert-butylphenol
  参考文献：
  名称：

  Novel azoles as potent and selective cannabinoid CB2 receptor agonists

  摘要：

  Novel azole compounds were prepared which demonstrated potent hCB2 binding activities with antioxidant activity for a selected compound. These compounds show good selectivity over the hCB1 receptor and are full agonists at the hCB2 receptor. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.11.003
• 作为产物：
  描述：

  9H-fluoren-9-ylmethyl [4-(aminocarbonyl)tetrahydro-2H-pyran-4-yl]carbamate 在 diphosphorus pentasulfide 、 碳酸氢钠 作用下， 以 乙二醇二甲醚 为溶剂， 反应 12.0h， 生成 9H-fluoren-9-ylmethyl {4-[4-(3,5-di-tert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]tetrahydro-2H-pyran-4-yl}carbamate
  参考文献：
  名称：

  Novel azoles as potent and selective cannabinoid CB2 receptor agonists

  摘要：

  Novel azole compounds were prepared which demonstrated potent hCB2 binding activities with antioxidant activity for a selected compound. These compounds show good selectivity over the hCB1 receptor and are full agonists at the hCB2 receptor. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.11.003

文献信息

• 4-PHENYL-1,3-THIAZOLES AND 4-PHENYL-1,3-OXAZOLES DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS
  申请人：Harnett Jeremiah

  公开号：US20110059970A1

  公开（公告）日：2011-03-10

  The present invention relates to new 4-phenyl-1,3-azole derivatives having the general formula (I) wherein R1, R2, R3, R4, X, A, B, and n are variable, in a racemic form, an enantiomeric form or any combinations thereof. These compounds exhibit affinity for cannabinoid receptors and may therefore be used as drugs to treat or prevent pathological states and diseases in which one or more of these receptors are involved. The invention also relates to pharmaceutical compositions containing said products and to the use thereof to prepare a drug.

  本发明涉及一种新的4-苯基-1,3-唑衍生物，其具有一般式（I），其中R1、R2、R3、R4、X、A、B和n是可变的，可以是外消旋形式、对映异构体形式或任何组合形式。这些化合物表现出对大麻素受体的亲和力，因此可以用作治疗或预防与这些受体有关的病理状态和疾病的药物。本发明还涉及含有该产品的制药组合物以及将其用于制备药物的用途。
• Novel azoles as potent and selective cannabinoid CB2 receptor agonists
  作者：Jeremiah J. Harnett、Christine Dolo、Isabelle Viossat、Florence Auger、Eric Ferrandis、Dennis Bigg、Michel Auguet、Serge Auvin、Pierre-E. Chabrier

  DOI：10.1016/j.bmcl.2014.11.003

  日期：2015.1

  Novel azole compounds were prepared which demonstrated potent hCB2 binding activities with antioxidant activity for a selected compound. These compounds show good selectivity over the hCB1 receptor and are full agonists at the hCB2 receptor. (C) 2014 Elsevier Ltd. All rights reserved.