Butanamide, 4,4,4-trifluoro-N-[(1S)-3-[3-[3-methyl-5-isopropyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: Butanamide, 4,4,4-trifluoro-N-[(1S)-3-[3-[3-methyl-5-isopropyl-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl]-
• 英文别名: 4,4,4-trifluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]butanamide
• 化学式: C₂₆H₃₆F₃N₅O
• 分子量: 491.6
• InChiKey: OSLBPWGTESVAOT-JVLTXYAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  35
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  63
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Tropane derivatives useful in therapy
  申请人：——

  公开号：US20020013337A1

  公开（公告）日：2002-01-31

  The present invention provides compounds of the formula: 1 wherein R 1 is C 3-6 cycloalkyl optionally substituted by one or more fluorine atoms, or C 1-6 alkyl optionally substituted by one or more fluorine atoms, or C 3-6 cycloalkylmethyl optionally ring-substituted by one or more fluorine atoms; and R 2 is phenyl optionally substituted by one or more fluorine atoms, to pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such compounds.

  本发明提供了以下结构的化合物：其中R1是C3-6环烷基，可选择地被一个或多个氟原子取代，或者是C1-6烷基，可选择地被一个或多个氟原子取代，或者是C3-6环烷基甲基，可选择地被一个或多个氟原子取代；以及R2是苯基，可选择地被一个或多个氟原子取代，其药学上可接受的盐和溶剂合物，以及用于制备、用于制备的中间体、含有这些化合物的组合物和用途的制备过程。
• Use of modulators of CCR5 in the treatment of Cancer and cancer metastasis
  申请人：PESTELL Richard G.

  公开号：US20130303512A1

  公开（公告）日：2013-11-14

  This disclosure is directed, in part, to a method of determining whether a subject having cancer is at risk for developing metastasis of the cancer. In one embodiment, the method comprises (a) obtaining a biological sample from the subject having cancer; (b) determining CCR5 expression level and/or expression level of at least one of CCR5 ligands in the biological sample; and (c) if the expression level of CCR5 and/or of at least one of CCR5 ligands determined in step (b) is increased compared to CCR5 expression level and/or expression level of at least one of CCR5 ligands in a control sample, then the subject is identified as likely at risk for developing metastasis of the cancer.

  本披露部分涉及一种确定患有癌症的受试者是否有发生癌症转移风险的方法。在一种实施例中，该方法包括：（a）从患有癌症的受试者中获取生物样本；（b）确定生物样本中CCR5表达水平和/或至少一个CCR5配体的表达水平；以及（c）如果步骤（b）中确定的CCR5和/或至少一个CCR5配体的表达水平与对照样本中的CCR5表达水平和/或至少一个CCR5配体的表达水平相比增加，则确定该受试者可能处于癌症转移的风险之中。
• [EN] TROPANE DERIVATIVES USEFUL IN THERAPY<br/>[FR] DERIVES DU TROPANE UTILES EN THERAPIE
  申请人：PFIZER LTD

  公开号：WO2001090106A2

  公开（公告）日：2001-11-29

  The present invention provides compounds of the formula (I): wherein R1 is C¿3-6? cycloalkyl optionally substituted by one or more fluorine atoms, or C1-6 alkyl optionally substituted by one or more fluorine atoms, or C3-6 cycloalkylmethyl optionally ring-substituted by one or more fluorine atoms; and R?2¿ is phenyl optionally substituted by one or more fluorine atoms, to pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such compounds.

  本发明提供式(I)的化合物：其中R1为C3-6环烷基，可选地被一个或多个氟原子取代，或C1-6烷基，可选地被一个或多个氟原子取代，或C3-6环烷基甲基，可选地被一个或多个氟原子取代；R2为苯基，可选地被一个或多个氟原子取代，以及其药学上可接受的盐和溶剂，以及制备该化合物所用的中间体，包含该化合物的组合物和用途的制备过程。
• TROPANE DERIVATIVES USEFUL IN THERAPY
  申请人：PERROS Manoussos

  公开号：US20080132537A1

  公开（公告）日：2008-06-05

  The present invention provides compounds of the formula: wherein R 1 is C 3-6 cycloalkyl optionally substituted by one or more fluorine atoms, or C 1-6 alkyl optionally substituted by one or more fluorine atoms, or C 3-6 cycloalkylmethyl optionally ring-substituted by one or more fluorine atoms; and R 2 is phenyl optionally substituted by one or more fluorine atoms, to pharmaceutically acceptable salts and solvates thereof, and to processes for the preparation of, intermediates used in the preparation of, compositions containing and the uses of, such compounds.

  本发明提供了以下式子的化合物：其中，R1是C3-6环烷基，可选地被一个或多个氟原子取代，或C1-6烷基，可选地被一个或多个氟原子取代，或C3-6环烷基甲基，可选地被一个或多个氟原子取代；以及R2是苯基，可选地被一个或多个氟原子取代。本发明还提供了药学上可接受的盐和溶剂，以及制备这种化合物所使用的中间体、含有这种化合物的组合物及其用途的制备方法。
• TRIAZOLYL TROPANE DERIVATIVES AS CCR5 MODULATORS
  申请人：Pfizer Limited

  公开号：EP1526134B1

  公开（公告）日：2008-09-03