1-Hydroxy-N-{(1S)-3-[3-exo-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclopentanecarboxamide | 280761-27-5

• 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: 1-Hydroxy-N-{(1S)-3-[3-exo-(2-methyl-1H-benzimidazol-1-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclopentanecarboxamide
• CAS: 280761-27-5
• 化学式: C₃₀H₃₈N₄O₂
• 分子量: 486.657
• InChiKey: CLIIINRHDMAIHH-QYOOZWMWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  36.0
• 可旋转键数：
  7.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  70.39
• 氢给体数：
  2.0
• 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。
• 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.
• US6586430B1
  申请人：——

  公开号：US6586430B1

  公开（公告）日：2003-07-01
• US9453836B2
  申请人：——

  公开号：US9453836B2

  公开（公告）日：2016-09-27