(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid;benzoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid;benzoic acid
• 化学式: C54H81NO19
• 分子量: 1048.2
• InChiKey: CHQALAKJMALCOR-MZMZDCEBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  74
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  357
• 氢给体数：
  13
• 氢受体数：
  20

文献信息

• TEC FAMILY KINASE INHIBITOR ADJUVANT THERAPY
  申请人：Pharmacyclics, Inc.

  公开号：EP2914263A1

  公开（公告）日：2015-09-09
• TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY
  申请人：Pharmacyclics LLC

  公开号：EP3060251A1

  公开（公告）日：2016-08-31
• US9717731B2
  申请人：——

  公开号：US9717731B2

  公开（公告）日：2017-08-01
• [EN] TEC FAMILY KINASE INHIBITOR ADJUVANT THERAPY<br/>[FR] THÉRAPIE ADJUVANTE PAR INHIBITEUR DE KINASE DE LA FAMILLE TEC
  申请人：PHARMACYCLICS INC

  公开号：WO2014071231A1

  公开（公告）日：2014-05-08

  Described herein are methods and compositions comprising a covalent TEC family kinase inhibitor for use in adjuvant therapy, including adjuvant cancer therapy, vaccination and treatment of immune disorders and pathogenic infections.
• [EN] TREATMENT USING BRUTON'S TYROSINE KINASE INHIBITORS AND IMMUNOTHERAPY<br/>[FR] TRAITEMENT À L'AIDE D'INHIBITEURS DE LA TYROSINE KINASE DE BRUTON ET DE L'IMMUNOTHÉRAPIE
  申请人：PHARMACYCLICS INC

  公开号：WO2015061752A1

  公开（公告）日：2015-04-30

  Combinations of Bruton's tyrosine kinase (Btk) inhibitors, e.g., l-((R)-3-(4-amino-3-(4- phenoxyphenyl)- 1 H-pyrazolo [3,4-d]pyrimidin- 1 -yl)piperidin- 1 -yl)prop-2-en- 1 -one, with immunotherapy are provided. Also provided are methods of treating cancers, and autoimmune disorders by administering combinations of Bruton's tyrosine kinase (Btk) inhibitors, e.g., 1- ((R)-3-(4-amino-3-(4-phenoxyphenyl)-lH-pyrazolo[3,4-d]pyrimidin-l-yl)piperidin-l-yl)prop-2- en-l-one, and an immune checkpoint inhibitor.