9-(tert-butyl)-2,6-dichloro-9H-purine | 1233884-46-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 9-(tert-butyl)-2,6-dichloro-9H-purine
• 英文别名: N-9-t-butyl-2,6-dichloro-9H-purine；9-tert-butyl-2,6-dichloropurine
• CAS: 1233884-46-2
• 化学式: C₉H₁₀Cl₂N₄
• 分子量: 245.111
• InChiKey: CQLYJLJZGZDGAT-UHFFFAOYSA-N

物化性质

• 熔点：
  175-180 °C
• 沸点：
  298.4±50.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-(tert-butyl)-2,6-dichloro-9H-purine 、 苄胺 以 四氢呋喃 为溶剂， 反应 5.0h， 以91%的产率得到N-benzyl-9-tert-butyl-2-chloropurin-6-amine
  参考文献：
  名称：

  N-Alkylation of 2,6-Dichloropurine Hydrochloride with a Variety of Alcohols over Alumina Catalyst

  摘要：

  2,6-Dichloropurine hydrochloride reacts with various types of alcohols using different alumina catalysts and converts into its N-9-alkyl-2-chloro-6-hydroxy-9H-purine products to an extent of 49-74%. The product selectivity depends on the stability of carbocation generated from the alcohol. More stable carbocation formulates both N-7 and N-9-alkyl-2,6-dichloropurine products, whereas the less stable carbocation results in exclusively N-9-alkyl-2-chloro-6-hydroxy-9H-purine. The catalytic activity of alumina prepared using the sol-gel method has larger Brunauer, Emmett, and Teller (BET) surface area and hence shows significantly greater catalytic activity than the commercially available alumina samples.

  DOI：

  10.1080/00397910903162791
• 作为产物：
  描述：

  2,6-二氯嘌呤 、 叔丁醇 在 硫酸 、 sodium sulfate 作用下， 反应 16.0h， 以40%的产率得到9-(tert-butyl)-2,6-dichloro-9H-purine
  参考文献：
  名称：

  PURINE DERIVATIVES

  摘要：

  本发明涉及式(I)的化合物或其药用盐，其中Q、G、环A、环B、R1、R2、R3、R4、R5、R5a、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18、R19、R20、R21、R22、R23、R24和m在此定义。这些新颖的嘌呤衍生物在治疗哺乳动物中的异常细胞生长，如癌症方面具有用途。另外，还涉及含有这些化合物的药物组合物，以及在治疗哺乳动物中的异常细胞生长方面使用这些化合物和组合物的方法。

  公开号：

  US20150141402A1

文献信息

• PURINE DERIVATIVES
  申请人：PFIZER INC.

  公开号：US20150141402A1

  公开（公告）日：2015-05-21

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein Q, G, ring A, ring B, R 1 , R 2 , R 3 , R 4 , R 5 , R 5a , R 6 , R 7 , R 8 , R 9 , R 10 , R 11 , R 12 , R 13 , R 14 , R 15 , R 16 , R 17 , R 18 , R 19 , R 20 , R 21 , R 22 , R 23 , R 24 , and m are defined herein. The novel purine derivatives are useful in the treatment of abnormal cell growth, such as cancer, in mammals. Additional embodiments relate to pharmaceutical compositions containing the compounds and to methods of using the compounds and compositions in the treatment of abnormal cell growth in mammals.

  本发明涉及式(I)的化合物或其药用盐，其中Q、G、环A、环B、R1、R2、R3、R4、R5、R5a、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18、R19、R20、R21、R22、R23、R24和m在此定义。这些新颖的嘌呤衍生物在治疗哺乳动物中的异常细胞生长，如癌症方面具有用途。另外，还涉及含有这些化合物的药物组合物，以及在治疗哺乳动物中的异常细胞生长方面使用这些化合物和组合物的方法。
• Purine derivatives
  申请人：PFIZER INC.

  公开号：US09290496B2

  公开（公告）日：2016-03-22

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein Q, G, ring A, ring B, R1, R2, R3, R4, R5, R5a, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, R19, R20, R21, R22, R23, R24, and m are defined herein. The novel purine derivatives are useful in the treatment of abnormal cell growth, such as cancer, in mammals. Additional embodiments relate to pharmaceutical compositions containing the compounds and to methods of using the compounds and compositions in the treatment of abnormal cell growth in mammals.

  本发明涉及式(I)的化合物或其药学上可接受的盐，其中Q、G、环A、环B、R1、R2、R3、R4、R5、R5a、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18、R19、R20、R21、R22、R23、R24和m在此定义。这些新型嘌呤衍生物在哺乳动物的异常细胞生长（如癌症）的治疗中有用。另外，本发明还涉及含有这些化合物的制药组合物以及在哺乳动物的异常细胞生长治疗中使用这些化合物和组合物的方法。
• 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS
  申请人：Pfizer Inc.

  公开号：EP3071570A1

  公开（公告）日：2016-09-28
• US9290496B2
  申请人：——

  公开号：US9290496B2

  公开（公告）日：2016-03-22
• [EN] 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS<br/>[FR] DÉRIVÉS DE PURINE SUBSTITUÉS EN POSITIONS 2 ET 6, ET LEUR UTILISATION DANS LE TRAITEMENT DES DÉSORDRES PROLIFÉRATIFS
  申请人：PFIZER

  公开号：WO2015075598A1

  公开（公告）日：2015-05-28

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof, wherein Q, G, ring A, ring B, R1, R2, R3, R4, R5, R5a, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, R19, R20, R21, R22, R23, R24, and m are defined herein. The novel purine derivatives are useful in the treatment of abnormal cell growth, such as cancer, in mammals. Additional embodiments relate to pharmaceutical compositions containing the compounds and to methods of using the compounds and compositions in the treatment of abnormal cell growth in mammals.