(8S,9R,10S,11S,13S,14S,16R,17R)-17-Acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one | 426-15-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (8S,9R,10S,11S,13S,14S,16R,17R)-17-Acetyl-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
• CAS: 426-15-3
• 化学式: C₂₂H₂₉FO₄
• 分子量: 376.5
• InChiKey: IKGBPSZWCRRUQS-QAHQDLQKSA-N

物化性质

• 沸点：
  527.1±50.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)
• 熔点：
  285 °C

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS
  申请人：Cannizzaro Carina

  公开号：US20090247488A1

  公开（公告）日：2009-10-01

  The invention is related to phosphorus substituted anti-inflammatory compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷取代的抗炎化合物、含有这种化合物的组合物、包括给药这种化合物的治疗方法，以及用于制备这种化合物的有用过程和中间体。
• ANTI-CANCER PHOSPHONATE ANALOGS
  申请人：Boojamra Constantine G.

  公开号：US20100022467A1

  公开（公告）日：2010-01-28

  The invention is related to phosphorus substituted anti-cancer compounds, compositions containing such compounds, and therapeutic methods that include the administration of such compounds, as well as to processes and intermediates useful for preparing such compounds.

  本发明涉及磷取代的抗癌化合物、含有这些化合物的组合物以及包括给予这些化合物的治疗方法，还涉及用于制备这些化合物的过程和中间体。
• Phosphate based linkers for intracellular delivery of drug conjugates
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10550190B2

  公开（公告）日：2020-02-04

  Phosphate-based linkers with tunable stability for intracellular delivery of drug conjugates are described. The phosphate-based linkers comprise a monophosphate, diphosphate, triphosphate, or tetraphosphate group (phosphate group) and a linker arm comprising a tuning element and optionally a spacer. A payload is covalently linked to the phosphate group at the distal end of the linker arm and the functional group at the proximal end of the linker arm is covalently linked to a cell-specific targeting ligand such as an antibody. These phosphate-based linkers have a differentiated and tunable stability in blood vs. an intracellular environment (e.g. lysosomal compartment).

  本文描述了用于细胞内输送药物共轭物的稳定性可调的磷酸盐基连接体。磷酸盐基连接体包括一个单磷酸、二磷酸、三磷酸或四磷酸基团（磷酸盐基团）和一个连接臂，连接臂包括一个调谐元件和可选的间隔物。有效载荷与连接臂远端磷酸基团共价连接，连接臂近端官能团与细胞特异性靶向配体（如抗体）共价连接。这些基于磷酸盐的连接体在血液与细胞内环境（如溶酶体区）中具有不同的可调稳定性。
• PHOSPHATE BASED LINKERS FOR INTRACELLULAR DELIVERY OF DRUG CONJUGATES
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20170182181A1

  公开（公告）日：2017-06-29

  Phosphate-based linkers with tunable stability for intracellular delivery of drug conjugates are described. The phosphate-based linkers comprise a monophosphate, diphosphate, triphosphate, or tetraphosphate group (phosphate group) and a linker arm comprising a tuning element and optionally a spacer. A payload is covalently linked to the phosphate group at the distal end of the linker arm and the functional group at the proximal end of the linker arm is covalently linked to a cell-specific targeting ligand such as an antibody. These phosphate-based linkers have a differentiated and tunable stability in blood vs. an intracellular environment (e.g. lysosomal compartment).
• ANTIBODY DRUG CONJUGATE FOR ANTI-INFLAMMATORY APPLICATIONS
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20200164085A1

  公开（公告）日：2020-05-28

  Antibody drug conjugates (ADCs) comprising an antibody conjugated to an anti-inflammatory therapeutic agent via a phosphate-based linker with tunable extracellular and intracellular stability are described.