N-(4-(2-(azetidine-3-carbonylamino)pyridin-4-yloxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide | 1345848-13-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-(4-(2-(azetidine-3-carbonylamino)pyridin-4-yloxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• 英文别名: N-(4-(2-(azetidine-3-carboxamido)pyridin-4-yloxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide；1-N'-[4-[2-(azetidine-3-carbonylamino)pyridin-4-yl]oxy-2,5-difluorophenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
• CAS: 1345848-13-6
• 化学式: C₂₆H₂₂F₃N₅O₄
• 分子量: 525.487
• InChiKey: QSMBNJYWRFZRLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  121
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  tert-butyl [4-(2,5-difluoro-4-{[1-(4-fluorophenylcarbamoyl)cyclopropanecarbonyl]amino}phenoxy)pyridin-2-yl]carbamate 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-(4-(2-(azetidine-3-carbonylamino)pyridin-4-yloxy)-2,5-difluorophenyl)-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
  参考文献：
  名称：

  [EN] CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES
  [FR] CYCLOPROPYL DICARBOXAMIDES ET ANALOGUES PRÉSENTANT DES ACTIVITÉS ANTICANCÉREUSES ET ANTIPROLIFÉRATIVES

  摘要：

  披露的化合物在哺乳动物癌症，尤其是人类癌症的治疗中很有用。披露了Formula I的化合物、药物组合物和方法：Formula I或其药用可接受的盐、水合物、溶剂合物、对映体、立体异构体或互变异构体。

  公开号：

  WO2011137342A1

文献信息

• CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES
  申请人：Flynn Daniel L.

  公开号：US20120252849A1

  公开（公告）日：2012-10-04

  The disclosed compounds are useful in the treatment of mammalian cancers and especially human cancers. Compounds, pharmaceutical compositions, and methods of Formula I are disclosed: or a pharmaceutically acceptable salt, hydrate, solvate, enantiomer, stereoisomer, or tautomer thereof.

  公开的化合物可用于治疗哺乳动物癌症，尤其是人类癌症。公开了公式I的化合物、制药组合物和方法，或其药用可接受的盐、水合物、溶剂物、对映体、立体异构体或互变异构体。
• Cyclopropyl dicarboxamides and analogs exhibiting anti-cancer and anti-proliferative activities
  申请人：Flynn Daniel L.

  公开号：US08637672B2

  公开（公告）日：2014-01-28

  The disclosed compounds are useful in the treatment of mammalian cancers and especially human cancers. Compounds, pharmaceutical compositions, and methods of Formula I are disclosed: or a pharmaceutically acceptable salt, hydrate, solvate, enantiomer, stereoisomer, or tautomer thereof.

  所披露的化合物对哺乳动物癌症，特别是人类癌症的治疗有用。披露了Formula I的化合物，制药组合物和方法：或其药学上可接受的盐，水合物，溶剂合物，对映体，立体异构体或互变异构体。
• CYCLOPROPYL DICARBOXAMIDES AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITES
  申请人：Deciphera Pharmaceuticals, LLC

  公开号：EP2563362B1

  公开（公告）日：2014-03-12
• Cardiovascular Compounds Comprising Heterocyclic Nitric Oxide Donor Groups, Compositions and Methods of Use
  申请人：Garvey David S.

  公开号：US20080306041A1

  公开（公告）日：2008-12-11

  The invention describes compositions and kits comprising at least one cardiovascular compound comprising at least one heterocyclic nitric oxide donor group, and, optionally, at least one nitric oxide enhancing compound and/or at least one therapeutic agent. The invention also provides methods for (a) treating cardiovascular diseases; (b) treating renovascular diseases; (c) treating diabetes; (d) treating diseases resulting from oxidative stress; (e) treating endothelial dysfunctions; (f) treating diseases caused by endothelial dysfunctions; (g) treating cirrhosis; (h) treating pre-eclampsia; (j) treating osteoporosis; (k) treating nephropathy; (l) treating peripheral vascular diseases; (m) treating portal hypertension and (n) treating ophthalmic disorders. The cardiovascular compounds are preferably β-adrenergic antagonists, angiotensin-converting enzyme (ACE) inhibitors, anti-hyperlipidemic compounds, and antithrombotic and vasodilator compounds. The heterocyclic nitric oxide donor groups are preferably furoxans, sydnonimines, oxatriazole-5-ones and/or oxatriazole-5-imines.
• US8637672B2
  申请人：——

  公开号：US8637672B2

  公开（公告）日：2014-01-28