1-[(2R,3S,4S,4aS,8aS)-4-[(3,5-dihydroxyphenyl)carbonyl]-3,4a, 8,8-tetramethyl-decahydronaphthalen-2-yl]-3-ethylurea

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[(2R,3S,4S,4aS,8aS)-4-[(3,5-dihydroxyphenyl)carbonyl]-3,4a, 8,8-tetramethyl-decahydronaphthalen-2-yl]-3-ethylurea
• 英文别名: 1-[(2R,3S,4S,4aS,8aS)-4-(3,5-dihydroxybenzoyl)-3,4a,8,8-tetramethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]-3-ethylurea
• 化学式: C₂₄H₃₆N₂O₄
• 分子量: 416.6
• InChiKey: UPNUCVIWAOWCGQ-BOIVJVEXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  98.7
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-{[(1S,2S,3R,4aS,8aS)-3-amino-2,5,5,8a-tetramethyldecahydronaphthalen-1-yl]carbonyl}benzene-1,3-diol 、 异氰酸乙酯 在 氩 、 silica gel 、 Dichloromethane methanol ammonium hydroxide 作用下， 以 四氢呋喃 为溶剂， 反应 66.0h， 以to give 1-[(2R,3S,4S,4aS,8aS)-4-[(3,5-dihydroxyphenyl)carbonyl]-3,4a, 8,8-tetramethyl-decahydronaphthalen-2-yl]-3-ethylurea as a colourless solid (Compound No的产率得到1-[(2R,3S,4S,4aS,8aS)-4-[(3,5-dihydroxyphenyl)carbonyl]-3,4a, 8,8-tetramethyl-decahydronaphthalen-2-yl]-3-ethylurea
  参考文献：
  名称：

  SHIP1 MODULATORS AND METHODS RELATED THERETO

  摘要：

  公式（I）的化合物：其中，n，R1，R4a，R4b，R5，R7和R8的定义如本文所述，或其药学上可接受的盐，在此处进行描述。所披露的化合物具有SHIP1调节剂的活性，因此可用于治疗任何需要SHIP1调节的多种疾病，疾病或状况。本文还披露了包含公式（I）化合物与药学上可接受的载体或稀释剂组合的组合物，以及通过向需要此类化合物的动物施用来进行SHIP1调节的方法。

  公开号：

  US20150336935A1

文献信息

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

  公开号：US10272081B2

  公开（公告）日：2019-04-30

  Compounds of formula (I): where n, R1, R4a, R4b, R5, R7 and R8 are defined herein, or pharmaceutically acceptable salts thereof, are described herein. The disclosed 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 formula (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.

  式(I)化合物： 其中 n、R1、R4a、R4b、R5、R7 和 R8 在本文中定义，或其药学上可接受的盐在本文中描述。所公开的化合物具有 SHIP1 调节剂的活性，因此可用于治疗 SHIP1 调节所带来的各种疾病、失调或病症中的任何一种。此外，还公开了由式（I）化合物与药学上可接受的载体或稀释剂组合而成的组合物，以及通过向有需要的动物施用此类化合物来调节 SHIP1 的方法。
• US9540353B2
  申请人：——

  公开号：US9540353B2

  公开（公告）日：2017-01-10
• US9937167B2
  申请人：——

  公开号：US9937167B2

  公开（公告）日：2018-04-10
• [EN] SHIP1 MODULATORS AND METHODS RELATED THERETO<br/>[FR] MODULATEURS DE SHIP1 ET PROCÉDÉS ASSOCIÉS
  申请人：AQUINOX PHARMACEUTICALS INC

  公开号：WO2014110036A1

  公开（公告）日：2014-07-17

  Compounds of formula (I): [Formula should be inserted here]; where [Formula should be inserted here], n, R1, R4a, R4b, R5, R7 and R8 are defined herein, or pharmaceutically acceptable salts thereof, are described herein. The disclosed 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 formula (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.
• SHIP1 MODULATORS AND METHODS RELATED THERETO
  申请人：AQUINOX PHARMACEUTICALS (CANADA) INC.

  公开号：US20150336935A1

  公开（公告）日：2015-11-26

  Compounds of formula (I): where, n, R 1 , R 4a , R 4b , R 5 , R 7 and R 8 are defined herein, or pharmaceutically acceptable salts thereof, are described herein. The disclosed 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 formula (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.

  公式（I）的化合物：其中，n，R1，R4a，R4b，R5，R7和R8的定义如本文所述，或其药学上可接受的盐，在此处进行描述。所披露的化合物具有SHIP1调节剂的活性，因此可用于治疗任何需要SHIP1调节的多种疾病，疾病或状况。本文还披露了包含公式（I）化合物与药学上可接受的载体或稀释剂组合的组合物，以及通过向需要此类化合物的动物施用来进行SHIP1调节的方法。