methyl 4-(5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl)bicyclo[2.2.2]octane-1-carboxylate | 1439793-33-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 4-(5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl)bicyclo[2.2.2]octane-1-carboxylate
• 英文别名: Methyl 4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octane-1-carboxylate
• CAS: 1439793-33-5
• 化学式: C₁₄H₁₈F₂N₂O₃
• 分子量: 300.305
• InChiKey: UPKBXECVVOSHJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 4-(5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl)bicyclo[2.2.2]octane-1-carboxylate 在 二异丁基氢化铝 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 1.5h， 生成 4-(5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl)bicyclo[2.2.2]octane-1-carbaldehyde
  参考文献：
  名称：

  WO2020168149A5

  摘要：

  公开号：

  WO2020168149A5
• 作为产物：
  描述：

  4-氨基甲酰双环[2.2.2]辛烷-1-羧酸甲酯 在 吡啶 、 羟胺 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 三氟乙酸酐 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.5h， 生成 methyl 4-(5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl)bicyclo[2.2.2]octane-1-carboxylate
  参考文献：
  名称：

  WO2020168149A5

  摘要：

  公开号：

  WO2020168149A5

文献信息

• Substituted bicyclic compounds as farnesoid X receptor modulators
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US11254663B2

  公开（公告）日：2022-02-22

  Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein all the variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

  公开的是式 (I) 化合物： 或其立体异构体、同系物、盐或溶液，其中所有变量如本文所定义。这些化合物可调节法尼类固醇 X 受体（FXR）的活性，例如作为激动剂。还公开了包含这些化合物的药物组合物，以及通过使用这些化合物和药物组合物治疗与 FXR 失调相关的疾病、紊乱或病症的方法，如病理性纤维化、移植排斥、癌症、骨质疏松症和炎症性紊乱。
• Evaluation of selective inhibitors of 11β-HSD1 for the treatment of hypertension
  作者：David R. Bauman、Alan Whitehead、Lisa C. Contino、Jisong Cui、Margarita Garcia-Calvo、Xin Gu、Nancy Kevin、Xiuying Ma、Lee-yuh Pai、Kashmira Shah、Xiaolan Shen、Sloan Stribling、Hratch J. Zokian、Joe Metzger、Diane E. Shevell、Sherman T. Waddell

  DOI：10.1016/j.bmcl.2013.03.011

  日期：2013.6

  In an effort to understand the origin of blood-pressure lowering effects observed in recent clinical trials with 11 beta-HSD1 inhibitors, we examined a set of 11 beta-HSD1 inhibitors in a series of relevant in vitro and in vivo assays. Select 11 beta-HSD1 inhibitors reduced blood pressure in our preclinical models but most or all of the blood pressure lowering may be mediated by a 11 beta-HSD1 independent pathway. (C) 2013 Elsevier Ltd. All rights reserved.
• SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3924336A1

  公开（公告）日：2021-12-22
• SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3924333A1

  公开（公告）日：2021-12-22
• [EN] SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS EN TANT QUE MODULATEURS DU RÉCEPTEUR FARNÉSOÏDE X
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020168143A1

  公开（公告）日：2020-08-20

  Disclosed are compounds of Formula (I) or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein all the variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.