(1R,2R,3S,5R)-2-(5-methyl-2-((3,4-dihydro-4-(2-(dimethylamino)ethyl)-2H-benzo[b][1,4]oxazin-7-yl)amino)pyrimidin-4-ylamino)-N,2,6,6-tetramethylbicyclo[3.1.1]heptane-3-carboxamide | 1019639-94-1

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (1R,2R,3S,5R)-2-(5-methyl-2-((3,4-dihydro-4-(2-(dimethylamino)ethyl)-2H-benzo[b][1,4]oxazin-7-yl)amino)pyrimidin-4-ylamino)-N,2,6,6-tetramethylbicyclo[3.1.1]heptane-3-carboxamide
• 英文别名: (1R,2R,3S,5R)-2-[[2-[[4-[2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzoxazin-7-yl]amino]-5-methylpyrimidin-4-yl]amino]-N,2,6,6-tetramethylbicyclo[3.1.1]heptane-3-carboxamide
• CAS: 1019639-94-1
• 化学式: C₂₉H₄₃N₇O₂
• 分子量: 521.706
• InChiKey: PWXCCRAJWVJTHV-WYOARPFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  94.6
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS
  申请人：Singh Rajinder

  公开号：US20080153815A1

  公开（公告）日：2008-06-26

  Pinane-substituted pyrimidinediamine derivatives derivatives and pharmaceutical compositions containing the derivatives are disclosed as being useful in inhibiting the activity of the receptor protein tyrosine kinase Axl. Methods of using the derivatives in treating diseases or conditions associated with Axl catalytic activity are also disclosed.
• US8097630B2
  申请人：——

  公开号：US8097630B2

  公开（公告）日：2012-01-17
• US8563559B2
  申请人：——

  公开号：US8563559B2

  公开（公告）日：2013-10-22
• [EN] PINANE-SUBSTITUTED PYRIMIDINEDIAMINE DERIVATIVES USEFUL AS AXL INHIBITORS<br/>[FR] DÉRIVÉS DE PYRIMIDINEDIAMINE SUBSTITUÉS PAR DU PINANE, UTILES EN TANT QU'INHIBITEURS DE AXL
  申请人：RIGEL PHARMACEUTICALS INC

  公开号：WO2008045978A1

  公开（公告）日：2008-04-17

  [EN] Pinane-substituted pyrimidipediamine derivatives derivatives, for example, compounds of formula (Ia): wherein: n is 0 to 7; m is 0 to 2; R¹. R². R⁴ and R⁵ are each independently hydrogen, alkyl, aryl, aralkyl, cycloalkyl. cycloalkylalkyl. -R¹⁴-OR¹⁵. -C(O)R¹⁵ Or -C(O)N(R¹¹JR¹²; or R⁴ and R⁵, together with the nitrogen to which they are attached, form an optionally substituted N-heteroaryl or an optionally substituted N-heterocyclyl; R⁶. R⁷ and R⁸ are each independently alkyl, haloalkyl, or -R^{1 3}-
  [FR] L'invention concerne des dérivés de pyrimidinediamine substitués par du pinane et des compositions pharmaceutiques contenant les dérivés, lesdits dérivés étant utiles pour l'inhibition de l'activité du récepteur de protéine tyrosine kinase Axl. L'invention concerne également des procédés d'utilisation des dérivés pour le traitement de maladies ou de troubles associés avec l'activité catalytique Axl.