1-(1(2)H-indazol-3-yl)-2,2-dimethyl-propan-1-one | 117100-84-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 1-(1(2)H-indazol-3-yl)-2,2-dimethyl-propan-1-one
• 英文别名: 1-(1(2)H-Indazol-3-yl)-2,2-dimethyl-propan-1-on；1-(1H-indazol-3-yl)-2,2-dimethylpropan-1-one
• CAS: 117100-84-2
• 化学式: C₁₂H₁₄N₂O
• 分子量: 202.256
• InChiKey: BGTLIKITVLJKRD-UHFFFAOYSA-N

物化性质

• 沸点：
  360.6±15.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  45.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1(2)H-indazol-3-yl)-2,2-dimethyl-propan-1-one 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 1-(1(2)H-indazol-3-yl)-2,2-dimethyl-propan-1-ol
  参考文献：
  名称：

  Piozzi et al., Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, 1959, vol. <8> 27, p. 123,124

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2-dimethyl-1-(1-nitroso-1H-indazol-3-yl)-propan-1-one 在 溶剂黄146 作用下， 生成 1-(1(2)H-indazol-3-yl)-2,2-dimethyl-propan-1-one
  参考文献：
  名称：

  Piozzi; Dubini, Gazzetta Chimica Italiana, 1959, vol. 89, p. 638,645

  摘要：

  DOI：

文献信息

• L-Phenylalanine Derivatives
  申请人：Barry Simon Thomas

  公开号：US20090137601A1

  公开（公告）日：2009-05-28

  The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，以及包含其作为活性成分的制药组合物，以及它们作为药物在温血动物（如人类）中治疗具有显著血管生成或血管成分的疾病，如实体肿瘤的制剂中的用途。本发明还涉及抑制a5b1的化合物，以及对其他整合素具有适当选择性谱的化合物。
• Antimicrobial polymyxin derivative compounds
  申请人：MONASH UNIVERSITY

  公开号：US11225505B2

  公开（公告）日：2022-01-18

  The present invention relates to antimicrobial polymyxin derivative compounds and their uses, and in particular to peptide polymyxin antibiotics which may be used in the treatment of bacterial infections such as Gram negative bacterial infections, particularly those caused by multidrug-resistant (MDR) Gram negative bacterial infections.

  本发明涉及抗菌多粘菌素衍生物化合物及其用途，特别是多肽多粘菌素抗生素，可用于治疗细菌感染，如革兰氏阴性菌感染，尤其是由多重耐药（MDR）革兰氏阴性菌感染引起的细菌感染。
• [EN] L-PHENYLALANINE DERIVATIVES<br/>[FR] DERIVES DE L-PHENYLALANINE
  申请人：ASTRAZENECA AB

  公开号：WO2007060408A2

  公开（公告）日：2007-05-31

  [EN] The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.
  [FR] L'invention concerne des composés qui inhibent la fonction a5b1, des procédés de préparation de ceux-ci, des compositions pharmaceutiques les contenant en tant qu'ingrédient actif, leur utilisation en tant que médicaments et leur utilisation dans la fabrication de médicaments servant à traiter des animaux à sang chaud, par exemple des humains, qui souffrent de maladies dans lesquelles une composante vasculaire ou d'angiogenèse significative est présente, de type tumeurs solides. L'invention concerne également des composés qui inhibent la fonction a5b1, et qui présentent un ou des profils de sélectivité appropriés contre d'autres intégrines.
• [EN] L-ALANINE DERIVATIVES<br/>[FR] DERIVES DE L-ALANINE
  申请人：ASTRAZENECA AB

  公开号：WO2007060409A1

  公开（公告）日：2007-05-31

  [EN] The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1 and also that exhibit appropriate selectivity profile(s) against other integrins.
  [FR] L'invention concerne des composés qui inhibent la fonction a5b1, des procédés de préparation de ceux-ci, des compositions pharmaceutiques les contenant en tant qu'ingrédient actif, leur utilisation en tant que médicaments et leur utilisation dans la fabrication de médicaments servant à traiter des animaux à sang chaud, par exemple des humains, qui souffrent de maladies dans lesquelles une composante vasculaire ou d'angiogenèse significative est présente, de type tumeurs solides. L'invention concerne également des composés qui inhibent la fonction a5b1, et qui présentent un ou des profils de sélectivité appropriés contre d'autres intégrines.
• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：ASTRAZENECA AB

  公开号：WO2007091046A1

  公开（公告）日：2007-08-16

  [EN] The present invention relates to compounds that inhibit a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.
  [FR] La présente invention concerne des composés qui inhibent la fonction a5b1, leurs procédés de préparation, des compositions pharmaceutiques les contenant en tant que substance active, leur utilisation sous forme de médicaments et leur utilisation dans la fabrication de médicaments pour une utilisation dans le traitement chez les animaux à sang chaud tels que les êtres humains de maladies qui ont un composant angiogenèse ou vasculaire significatif tel que le traitement de tumeurs solides. La présente invention concerne également des composés qui inhibent la fonction a5b1, et présentent également un ou plusieurs profiles de sélectivité appropriés contre d'autres intégrines.