5-(5-methyl-1-(3-(pyrrolidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole | 1570495-42-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 5-(5-methyl-1-(3-(pyrrolidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole
• 英文别名: 5-[5-Methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole；5-[5-methyl-1-[(3-pyrrolidin-1-ylphenyl)methyl]-1,2,4-triazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
• CAS: 1570495-42-9
• 化学式: C₂₃H₂₁F₃N₆O₂
• 分子量: 470.454
• InChiKey: PTGDAYCBSXGLJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole-5-carbohydrazide 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium carbonate 、 caesium carbonate 、 sodium hydroxide 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙二醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 5-(5-methyl-1-(3-(pyrrolidin-1-yl)benzyl)-1H-1,2,4-triazol-3-yl)-3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazole
  参考文献：
  名称：

  [EN] HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE
  [FR] MODULATEURS HÉTÉROCYCLIQUES DE L'ACTIVITÉ DU FACTEUR HIF UTILISÉS POUR LE TRAITEMENT DE MALADIES

  摘要：

  公开号：

  WO2014031936A3

文献信息

• SALTS OF HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE
  申请人：Board of Regents, University of Texas System

  公开号：US20150239876A1

  公开（公告）日：2015-08-27

  The present disclosure relates to salts of heterocyclic compounds and methods that inhibit HIF pathway activity. The compounds are designed to treat or prevent cancer and other hypoxia-mediated diseases.

  本公开涉及杂环化合物的盐和抑制HIF通路活性的方法。这些化合物被设计用于治疗或预防癌症和其他缺氧介导的疾病。
• HETEROCYCLIC MODULATORS OF HIF ACTIVITY FOR TREATMENT OF DISEASE
  申请人：Institute For Applied Cancer Science/The University of Texas MD Anderson Cancer Center

  公开号：US20140066424A1

  公开（公告）日：2014-03-06

  The present invention relates to compounds and methods which may be useful as inhibitors of HIF pathway activity for the treatment or prevention of cancer and other hypoxia-mediated diseases.

  本发明涉及化合物和方法，可用作HIF通路活性的抑制剂，用于治疗或预防癌症和其他缺氧介导的疾病。
• Pyrazole Compounds for Controlling Invertebrate Pests
  申请人：GROSS Steffen

  公开号：US20140068820A1

  公开（公告）日：2014-03-06

  The present invention relates to novel pyrazole compounds of the formulae I and II, to their salts and their N-oxides which can be used for combating or controlling invertebrate pests, in particular arthropod pests. The invention also relates to a method for controlling invertebrate pests by using these compounds. The present invention also relates to seed and to an agricultural and veterinary composition comprising said compounds. wherein A is a pyrazole radical of the formulae A1, A2 or A3 # denotes the binding site to the remainder of formulae I or II; X 1 is S, O or NR 1a ; X 2 is OR 2a , NR 2b R 2c , S(O) m R 2d ; X 3 is a lone pair or oxygen; R 1 , R 2 and R 3 are, inter alia, hydrogen, and wherein R 41 , R 42 , R 43 , R 51 , R 52 , R 53 , R 61 , R 62 , R 63 , are as defined in claim 1.

  本发明涉及式I和式II的新型吡唑化合物及其盐和N-氧化物，可用于对抗或控制无脊椎动物害虫，特别是节肢动物害虫。本发明还涉及使用这些化合物控制无脊椎动物害虫的方法。本发明还涉及种子以及包含该化合物的农业和兽医组合物。其中，A是式A1、A2或A3的吡唑基团；#表示与式I或II的其余部分的结合位点；X1是S、O或NR1a；X2是OR2a、NR2bR2c、S（O）mR2d；X3是孤对电子或氧；R1、R2和R3等等为氢；R41、R42、R43、R51、R52、R53、R61、R62和R63如权利要求1所定义。
• Heterocyclic modulators of HIF activity for treatment of disease
  申请人：Board of Regents, University of Texas System

  公开号：US10208059B2

  公开（公告）日：2019-02-19

  The present invention relates to compounds and methods which may be useful as inhibitors of HIF pathway activity for the treatment or prevention of cancer and other hypoxia-mediated diseases.

  本发明涉及可作为 HIF 通路活性抑制剂用于治疗或预防癌症和其他缺氧介导的疾病的化合物和方法。
• Salts of heterocyclic modulators of HIF activity for treatment of disease
  申请人：Board of Regents, The University of Texas System

  公开号：US10363248B2

  公开（公告）日：2019-07-30

  The present disclosure relates to salts of heterocyclic compounds and methods that inhibit HIF pathway activity. The compounds are designed to treat or prevent cancer and other hypoxia-mediated diseases.

  本公开涉及抑制 HIF 通路活性的杂环化合物盐和方法。这些化合物旨在治疗或预防癌症和其他缺氧介导的疾病。