[(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;zinc

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate;2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;zinc
• 化学式: C54H50N8O3Zn
• 分子量: 924.4
• InChiKey: XYZNUYKYCVZBKI-CKIVSTCFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.71
• 重原子数：
  66
• 可旋转键数：
  3
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  152
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• BCL-2BCL-XL INHIBITORS AND THERAPEUTIC METHODS USING THE SAME
  申请人：The Regents of The University of Michigan

  公开号：EP2945940A1

  公开（公告）日：2015-11-25
• INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/MTOR AND MEK/PI3K/MTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS
  申请人：The Regents of The University of Michigan

  公开号：EP3664808A1

  公开（公告）日：2020-06-17
• [EN] BCL-2BCL-XL INHIBITORS AND THERAPEUTIC METHODS USING THE SAME<br/>[FR] INHIBITEURS DE BCL-2BCL-XL ET MÉTHODES THÉRAPEUTIQUES LES FAISANT INTERVENIR
  申请人：UNIV MICHIGAN

  公开号：WO2014113413A1

  公开（公告）日：2014-07-24

  Inhibitors of Bcl-2/Bcl-xL and compositions containing the same are disclosed. Methods of using the Bcl-2/Bcl-xL inhibitors in the treatment of diseases and conditions wherein inhibition of Bcl-2/Bcl-xL provides a benefit, like cancers, also are disclosed.
• [EN] INHIBITORS OF MEK/PI3K, JAK/MEK, JAK/PI3K/MTOR AND MEK/PI3K/MTOR BIOLOGICAL PATHWAYS AND METHODS FOR IMPROVING LYMPHATIC UPTAKE, BIOAVAILABILITY, AND SOLUBILITY OF THERAPEUTIC COMPOUNDS<br/>[FR] INHIBITEURS DES VOIES BIOLOGIQUES MEK/P13K, JAK/MEK, JAK/P13K/MTOR ET MEK/P13K/MTOR ET PROCÉDÉS D'AMÉLIORATION DE L'ABSORPTION LYMPHATIQUE, DE LA BIODISPONIBILITÉ ET DE LA SOLUBILITÉ DE COMPOSÉS THÉRAPEUTIQUES
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2019032640A1

  公开（公告）日：2019-02-14

  Inhibitors of mTOR, MEK, JAK and PI3K and compositions containing the same are disclosed. Methods of using the inhibitors in the treatment of a variety of diseases and conditions wherein inhibition of one or more of mTOR, MEK, JAK and PI3K provides a benefit also are disclosed. Methods of using chemical attachment moieties and linkers for the purposes of modifying compound solubility and/or lymphatic absorption are also disclosed.