1-{[(1R,10R,11S,16S)-3-hydroxy-1,11,15,15-tetramethyl-8,8-dioxo-8λ(6)-thiatetracyclo[8.8.0.0(2,7).0(11,16)]octadeca-2,4,6-trien-5-yl]carbonyl}piperidine-4-carboxylic acid | 1310418-36-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: 1-{[(1R,10R,11S,16S)-3-hydroxy-1,11,15,15-tetramethyl-8,8-dioxo-8λ(6)-thiatetracyclo[8.8.0.0(2,7).0(11,16)]octadeca-2,4,6-trien-5-yl]carbonyl}piperidine-4-carboxylic acid
• 英文别名: 1-{[(1R,10R,11S,16S)-3-hydroxy-1,11,15,15-tetramethyl-8,8-dioxo-8lambda6-thiatetracyclo[8.8.0.02,7.011,16]octadeca-2,4,6-trien-5-yl]carbonyl}piperidine-4-carboxylic acid；1-[(4aS,4bR,10bR,12aS)-10-hydroxy-1,1,4a,10b-tetramethyl-6,6-dioxo-2,3,4,4b,5,11,12,12a-octahydronaphtho[1,2-c]thiochromene-8-carbonyl]piperidine-4-carboxylic acid
• CAS: 1310418-36-0
• 化学式: C₂₈H₃₉NO₆S
• 分子量: 517.687
• InChiKey: QXNYSHAVPFMCRG-ICLSSZMYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  36
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  methyl 1-{[(1R,10R,11S,16S)-3-hydroxy-1,11,15,15-tetramethyl-8,8-dioxo-8λ6-thiatetracyclo[8.8.0.02,7.011,16]octadeca-2,4,6-trien-5-yl]carbonyl}piperidine-4-carboxylate 在 lithium hydroxide monohydrate 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 18.0h， 以63%的产率得到1-{[(1R,10R,11S,16S)-3-hydroxy-1,11,15,15-tetramethyl-8,8-dioxo-8λ(6)-thiatetracyclo[8.8.0.0(2,7).0(11,16)]octadeca-2,4,6-trien-5-yl]carbonyl}piperidine-4-carboxylic acid
  参考文献：
  名称：

  SHIP1 MODULATORS AND METHODS RELATED THERETO

  摘要：

  结构化合物（I）：包括其立体异构体和药学上可接受的盐，其中X，R1，R2，R3，R4，R5，R6和R7如本文所定义。这些化合物具有作为SHIP1调节剂的活性，因此可以用于治疗任何需要SHIP1调节的各种疾病、疾病或情况。还公开了包含结构化合物（I）与药学上可接受的载体或稀释剂组合的组合物，以及通过向需要的动物施用这些化合物来进行SHIP1调节的方法。

  公开号：

  US20110136802A1

文献信息

• SHIP1 modulators and methods related thereto
  申请人：Aquinox Pharmaceuticals Inc.

  公开号：US08101605B2

  公开（公告）日：2012-01-24

  Compounds of structure (I): including stereoisomers and pharmaceutically acceptable salts thereof, wherein X, R1, R2, R3, R4, R5, R6 and R7 are as defined herein. Such compounds have activity as SHIP1 modulators, and thus may be used to treat any of a variety of diseases, disorders or conditions that would benefit from SHIP1 modulation. Compositions comprising a compound of structure (I) in combination with a pharmaceutically acceptable carrier or diluent are also disclosed, as are methods of SHIP1 modulation by administration of such compounds to an animal in need thereof.

  结构式（I）的复合物，包括立体异构体和药物可接受的盐，其中X、R1、R2、R3、R4、R5、R6和R7的定义如本文所述。这些化合物具有SHIP1调节剂的活性，因此可用于治疗任何需要SHIP1调节的疾病、疾病或状况。本文还披露了包含结构式（I）的化合物与药物可接受的载体或稀释剂的组合物，以及通过向需要此类化合物的动物投与此类化合物来进行SHIP1调节的方法。
• US8101605B2
  申请人：——

  公开号：US8101605B2

  公开（公告）日：2012-01-24
• [EN] SHIP1 MODULATORS AND METHODS RELATED THERETO<br/>[FR] MODULATEURS DE SHIP1 ET MÉTHODES ASSOCIÉES
  申请人：AQUINOX PHARMACEUTICALS INC

  公开号：WO2011069118A1

  公开（公告）日：2011-06-09

  Compounds of structure (I): including stereoisomers and pharmaceutically acceptable salts thereof, wherein X, R1, R2, R3, R4, R5, R6 and R7 are as defined herein. Such compounds have activity as SHIP1 modulators, and thus may be used to treat any of a variety of diseases, disorders or conditions that would benefit from SHIP1 modulation. Compositions comprising a compound of structure (I) in combination with a pharmaceutically acceptable carrier or diluent are also disclosed, as are methods of SHIP1 modulation by administration of such compounds to an animal in need thereof.