[(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] 3-(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-nonadecaen-5-yl)propanoate

• 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] 3-(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-nonadecaen-5-yl)propanoate
• 化学式: C₅₄H₄₈N₈O₃
• 分子量: 857.0
• InChiKey: YLVXBDNTMAEKCN-DSGXJMFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.2
• 重原子数：
  65
• 可旋转键数：
  5
• 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

• PARATHYROID HORMONE RECEPTOR 1 (PTH1R) ANTIBODIES AND USES THEREOF
  申请人：XOMA (US) LLC

  公开号：EP3490600A1

  公开（公告）日：2019-06-05
• COVALENT SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME
  申请人：The Regents of The University of Michigan

  公开号：EP3609876A1

  公开（公告）日：2020-02-19
• [EN] PARATHYROID HORMONE RECEPTOR 1 (PTH1R) ANTIBODIES AND USES THEREOF<br/>[FR] ANTICORPS DU RÉCEPTEUR 1 DE L'HORMONE DE PARATHYROÏDE (PTH1R) ET LEURS UTILISATIONS
  申请人：XOMA US LLC

  公开号：WO2018026748A1

  公开（公告）日：2018-02-08

  The present disclosure relates, in general, human antibodies against human parathyroid hormone receptor 1 (PTH1R) and methods of use of such antibodies in the treatment of cancer, Humoral Hypercalcemia of Malignancy (HHM), or Primary Hyperparathyroidism (PHPT) and Secondary Hyperparathyroidism (SHPT) and cachexia.
• [EN] COVALENT SMALL MOLECULE DCN1 INHIBITORS AND THERAPEUTIC METHODS USING THE SAME<br/>[FR] INHIBITEURS COVALENTS À PETITES MOLÉCULES DE DCN1 ET PROCÉDÉS THÉRAPEUTIQUES LES UTILISANT
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2018191199A1

  公开（公告）日：2018-10-18

  Small molecule covalent inhibitors of DCNl and compositions containing the same are disclosed. Methods of using the DCNl covalent inhibitors in the treatment of diseases and conditions wherein inhibition of DCNl provides a benefit, like oxidative stress- related diseases and conditions, neurodegenerative diseases and conditions, metabolic disorders, and muscular nerve degeneration, also are disclosed.