1-cyclopropyl-3-(3-nitrophenyl)propane-1,3-dione

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-cyclopropyl-3-(3-nitrophenyl)propane-1,3-dione
• 化学式: C₁₂H₁₁NO₄
• 分子量: 233.224
• InChiKey: JKDNZWAEMCAZBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  80
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-cyclopropyl-3-(3-nitrophenyl)propane-1,3-dione 在 盐酸羟胺 、 氯化铵 、 锌 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 生成 3-(3-cyclopropylisoxazol-5-yl)aniline
  参考文献：
  名称：

  WO2020168148A5

  摘要：

  公开号：

  WO2020168148A5
• 作为产物：
  描述：

  环丙甲基酮 、 间硝基苯甲酰氯 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 2.08h， 以61%的产率得到1-cyclopropyl-3-(3-nitrophenyl)propane-1,3-dione
  参考文献：
  名称：

  WO2020168148A5

  摘要：

  公开号：

  WO2020168148A5

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。
• WO2020168143A5
  申请人：——

  公开号：WO2020168143A5

  公开（公告）日：2022-12-22
• 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
• [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.
• [EN] SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS<br/>[FR] COMPOSÉS BICYCLIQUES SUBSTITUÉS UTILISÉS EN TANT QUE MODULATEURS DU RÉCEPTEUR FARNÉSOÏDE X
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2020168148A1

  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 Q is C2-6 alkenyl or C2-6 alkynyl, each substituted with zero to 2 R1; and the other 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.