7,11-dihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 7,11-dihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
• 化学式: C₂₆H₃₉NO₆S
• 分子量: 493.7
• InChiKey: HESCAJZNRMSMJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  34
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  138
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• [EN] TUBULIN INHIBITORS FOR USE IN THE PREVENTION OR TREATMENT OF METASTASIS<br/>[FR] INHIBITEURS DESTINÉS À ÊTRE UTILISÉS DANS LA PRÉVENTION OU LE TRAITEMENT DE MÉTASTASES
  申请人：UNIV BASEL

  公开号：WO2020127946A2

  公开（公告）日：2020-06-25

  The invention relates to a tubulin inhibitor for use in the prevention or treatment of metastasis in a cancer patient defined by the presence of CTC clusters in the bloodstream. The tubulin inhibitor of the present invention is selected from a tubulin polymerization inhibitor and a tubulin depolymerization inhibitor. The invention further relates to the use of nucleic acid agents inhibiting the expression of genes related to CTC cluster formation and maintenance.
• [EN] MR1 LIGANDS AND PHARMACEUTICAL COMPOSITIONS FOR IMMUNOMODULATION<br/>[FR] LIGANDS MR1 ET COMPOSITIONS PHARMACEUTIQUES POUR IMMUNOMODULATION
  申请人：UNIV BASEL

  公开号：WO2021144475A1

  公开（公告）日：2021-07-22

  The invention relates to a method for modulating an interaction between an MR1 polypeptide and an MR1-specific T cell receptor molecule, whereby a MR1 polypeptide is contacted with a MR1 ligand compound that is a nucleobase adduct product reflecting a state of metabolic distress of a cell. The invention further relates to the use of compounds identified as MR1 ligands in vaccination or modulation of an MR1-restricted immune response.