[(2R,3S,6S,7R,8E,11S,12Z,14E)-2,5,6-trimethoxy-3,7,9,11,15-pentamethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate | 73341-72-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: [(2R,3S,6S,7R,8E,11S,12Z,14E)-2,5,6-trimethoxy-3,7,9,11,15-pentamethyl-16,20,22-trioxo-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate
• 英文别名: [(4E,6Z,8S,10E,12R,13S,16S,17R)-13,14,17-trimethoxy-4,8,10,12,16-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
• CAS: 73341-72-7
• 化学式: C₃₀H₄₂N₂O₈
• 分子量: 558.7
• InChiKey: PLTGBUPHJAKFMA-HXUNTIRESA-N

物化性质

• 熔点：
  205-206 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  736.2±60.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)
• 溶解度：
  溶于 DMSO > 10 mM

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  40
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  143
• 氢给体数：
  2
• 氢受体数：
  8

文献信息

• Combination therapies using agents that target tumor-associated stroma or tumor cells and other pathways
  申请人：BIOMED VALLEY DISCOVERIES, INC.

  公开号：US10758526B2

  公开（公告）日：2020-09-01

  The present invention provides, inter alia, methods for treating or ameliorating the effects of a disease, such as cancer in a subject. The methods include: administering to a subject in need thereof (a) a therapeutically effective amount of a molecularly targeted agent; and (b) a therapeutically effective amount of a monoclonal antibody or antigen binding fragment thereof, wherein the monoclonal antibody contains: (i) a heavy chain variable region (VH), which includes an amino acid sequence selected from SEQ ID NO:1, SEQ ID NO:3, SEQ ID NO:5, and SEQ ID NO:7; and (ii) a light chain variable region (VL), which includes an amino acid sequence selected from SEQ ID NO:2, SEQ ID NO:4, SEQ ID NO:6, and SEQ ID NO:8. Compositions, including pharmaceutical compositions, and kits for treating diseases, such as cancer, are also provided herein.

  本发明特别提供了治疗或改善疾病（如癌症）对受试者影响的方法。这些方法包括：向有需要的受试者施用(a)治疗有效量的分子靶向制剂；和(b)治疗有效量的单克隆抗体或其抗原结合片段，其中单克隆抗体包含：(i) 重链可变区（VH），其包括选自 SEQ ID NO:1、SEQ ID NO:3、SEQ ID NO:5 和 SEQ ID NO:7 的氨基酸序列；以及 (ii) 轻链可变区（VL），其包括选自 SEQ ID NO:2、SEQ ID NO:4、SEQ ID NO:6 和 SEQ ID NO:8 的氨基酸序列。本文还提供了用于治疗癌症等疾病的组合物（包括药物组合物）和试剂盒。
• HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS
  申请人：Synta Pharmaceuticals Corp.

  公开号：EP2616063A1

  公开（公告）日：2013-07-24
• TREATING CANCER WITH HSP90 INHIBITORY COMPOUNDS
  申请人：Synta Pharmaceuticals Corp.

  公开号：EP2729144A2

  公开（公告）日：2014-05-14
• TREATING POLYCYSTIC KIDNEY DISEASE WITH HSP90 INHIBITORY COMPOUNDS
  申请人：Synta Pharmaceuticals Corp.

  公开号：EP2914259A1

  公开（公告）日：2015-09-09
• HSP90 Inhibitors for Treating Non-Small Cell Lung Cancer in Wild-Type EGFR and/or KRAS Patients
  申请人：Vukovic Vojo

  公开号：US20120064175A1

  公开（公告）日：2012-03-15

  Provided is a method for treating non-small cell lung cancer with wild-type EGFR gene and/or KRAS gene by administering to a subject in need thereof, an effective amount of a triazolone compound according to the following formula: a tautomer, or a pharmaceutically acceptable salt thereof, wherein the variables in the structural formulae are defined herein.