N-{(1S)-3-[3-exo-(4-Fluoro-2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}-1-propionyl-3-azetidinecarboxamide | 280761-74-2

• 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: N-{(1S)-3-[3-exo-(4-Fluoro-2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}-1-propionyl-3-azetidinecarboxamide
• CAS: 280761-74-2
• 化学式: C₃₁H₃₈FN₅O₂
• 分子量: 531.673
• InChiKey: ZZSSCCONCQDYJR-SFIUMABJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.77
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  70.47
• 氢给体数：
  1.0
• 氢受体数：
  5.0

文献信息

• 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。
• Assay method
  申请人：Pfizer Limited

  公开号：EP1118858A2

  公开（公告）日：2001-07-25

  An assay method for determining whether an agent is capable of modulating the interaction of CCR5 with gp120 is disclosed. The method comprises incubating the agent with CCR5 and gp120 to form a first reaction mixture; and determining whether said agent modulates the interaction of CCR5 with gp120; wherein said gp120 is associated with CD4. In particular, the interaction is a low affinity binding.

  本发明公开了一种检测方法，用于确定制剂是否能够调节 CCR5 与 gp120 的相互作用。该方法包括将药剂与 CCR5 和 gp120 培养形成第一反应混合物；以及确定所述药剂是否能调节 CCR5 与 gp120 的相互作用；其中所述 gp120 与 CD4 有关。特别是，这种相互作用是一种低亲和力结合。
• AZABICYCLOALKANES AS CCR5 MODULATORS
  申请人：PHIVCO UK Limited

  公开号：EP1140085B1

  公开（公告）日：2011-04-13
• Use Of Modulators Of CCR5 In The Treatment Of Cancer And Cancer Metastasis
  申请人：Pestell Richard G.

  公开号：US20170231991A1

  公开（公告）日：2017-08-17

  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.
• USE OF MODULATORS OF CCR5 IN THE TREATMENT OF CANCER AND CANCER METASTASIS
  申请人：Pestell Richard G.

  公开号：US20190314371A1

  公开（公告）日：2019-10-17

  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.