4-{4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl}-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol | 1166819-45-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-{4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl}-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
• 英文别名: 4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol；4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
• CAS: 1166819-45-9
• 化学式: C₂₃H₂₄F₃N₇O₂
• 分子量: 487.484
• InChiKey: MITIGUZAEIKKRS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  93.6
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  2-(1-甲基-1H-吡唑-5-基)乙醇 、 4-(4-hydroxyphenyl)-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 以72.2%的产率得到4-{4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl}-1-[3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidin-4-ol
  参考文献：
  名称：

  [EN] TRIAZOLO [4,3-B] PYRIDAZINE DERIVATIVES AND THEIR USES FOR PROSTATE CANCER
  [FR] DÉRIVÉS DE TRIAZOLO[4,3-B]PYRIDAZINE ET LEURS UTILISATIONS CONTRE LE CANCER DE LA PROSTATE

  摘要：

  本发明涉及式(I)所示的二环化合物，其中式(II)、R1、R2、L1、L2、J、Y、k、n、p和r的定义如说明中所述。本发明还涉及制备此类化合物的过程、包含它们的药物组合物以及它们在治疗雄激素受体相关状况，特别是前列腺癌方面的用途。

  公开号：

  WO2010092371A1

文献信息

• [EN] BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS<br/>[FR] DÉRIVÉS BICYCLIQUES DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT D'AFFECTIONS ASSOCIÉES AU RÉCEPTEUR DES ANDROGÈNES
  申请人：ASTRAZENECA AB

  公开号：WO2009081197A1

  公开（公告）日：2009-07-02

  The invention concerns bicyclic compounds of Formula (I), wherein the integers X1, X2, X3, Ring A, R4, R5 and m are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of androgen-receptor associated conditions.

  该发明涉及式(I)的双环化合物，其中整数X1、X2、X3、环A、R4、R5和m的定义如描述中所示。本发明还涉及制备这些化合物的方法、含有它们的药物组合物以及它们在制备用于预防或治疗雄激素受体相关疾病的药物中的应用。
• BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155
  申请人：Bradbury Robert Hugh

  公开号：US20100016279A1

  公开（公告）日：2010-01-21

  The invention concerns bicyclic compounds of Formula I wherein the integers X 1 , X 2 , X 3 , Ring A, R 4 , R 5 and m are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of androgen-receptor associated conditions.

  本发明涉及公式I的双环化合物，其中整数X1、X2、X3、环A、R4、R5和m如描述中所定义。本发明还涉及制备这种化合物的方法、包含它们的制药组合物以及它们在制造用于预防或治疗与雄激素受体相关疾病的药物中的应用。
• Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155
  申请人：AstraZeneca AB

  公开号：US08003649B2

  公开（公告）日：2011-08-23

  The invention concerns bicyclic compounds of Formula I wherein the integers X1, X2, X3, Ring A, R4, R5 and m are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of androgen-receptor associated conditions.

  本发明涉及式I的双环化合物，其中整数X1、X2、X3、环A、R4、R5和m的定义如描述中所述。本发明还涉及制备此类化合物的方法、含有它们的制药组合物以及它们在制造用于预防或治疗雄激素受体相关疾病的药物中的应用。
• CHEMICAL COMPOUNDS - 643
  申请人：Bradbury Robert Hugh

  公开号：US20100267699A1

  公开（公告）日：2010-10-21

  The invention concerns bicyclic compounds of Formula I wherein , R 1 , R 2 , L 1 , L 2 , J, Y, k, n, p and r are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the treatment of androgen-receptor associated conditions, particularly prostate cancer.

  本发明涉及式I的双环化合物，其中R1，R2，L1，L2，J，Y，k，n，p和r如描述中所定义。本发明还涉及制备这种化合物的方法，包含它们的制药组合物以及它们在治疗与雄激素受体相关的疾病，特别是前列腺癌中的用途。
• Chemical compounds—643
  申请人：Astrazeneca AB

  公开号：US08258140B2

  公开（公告）日：2012-09-04

  The invention concerns bicyclic compounds of Formula I wherein , R1, R2, L1, L2, J, Y, k, n, p and r are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the treatment of androgen-receptor associated conditions, particularly prostate cancer.

  本发明涉及公式I的双环化合物，其中，R1、R2、L1、L2、J、Y、k、n、p和r如描述中所定义。本发明还涉及制备这些化合物的方法、包含它们的药物组合物以及它们在治疗与雄激素受体相关的疾病，特别是前列腺癌中的应用。