2,8-Diphenylpurin | 93327-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,8-Diphenylpurin
• 英文别名: 2,8-diphenyl-7(9)H-purine；2,8-diphenyl-7H-purine
• CAS: 93327-21-0
• 化学式: C₁₇H₁₂N₄
• 分子量: 272.309
• InChiKey: WKHKKFZGAGUBJA-UHFFFAOYSA-N

物化性质

• 沸点：
  450.9±28.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-phenyl-4-amino-5-nitropyrimidine 在 palladium on activated charcoal 氢气 作用下， 以 四氢呋喃 、 吡啶 、 乙二醇二甲醚 为溶剂， 20.0~50.0 ℃ 、150.0 kPa 条件下， 反应 36.5h， 生成 2,8-Diphenylpurin
  参考文献：
  名称：

  C-2-芳基嘌呤的新型实用合成

  摘要：

  Suzuki-Miyaura 将卤代嘌呤与芳基硼酸交叉偶联是合成 C-2-芳基嘌呤的最有效方法之一。然而，由于这种方法隐含了一些潜在的缺点，我们需要设计一个更有效的过程。从容易由 5-硝基尿嘧啶制备的 4-氨基-2-氯-5-硝基嘧啶开始，似乎可以消除我们的担忧，并详细检查了 Suzuki-Miyaura 偶联的适用性。在 Suzuki-Miyaura 协议中通常采用的水性条件下，相当大的竞争性水解与所需的反应同时发生。在无水条件下使用 1,1'-双(二叔丁基膦基)二茂铁 (=Dt-BPF) 获得了优异的收率。还发现了对各种芳基硼酸的耐受性。

  DOI：

  10.1002/adsc.200404159

文献信息

• Preparation and use of compounds as protease inhibitors
  申请人：Stamford Andrew

  公开号：US20080176868A1

  公开（公告）日：2008-07-24

  Disclosed are compounds of the formula I or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein Q is a bond or —N(R 5 )—; T is a bond, —O—, —C(O)—; S, —N(R 5 )—, or —C(R 6′ R 7′ ); U is a bond or —C(R 6 )(R 7 )— Y is C or N; Z is C or N; ring A, including variables Y and Z, is a three to nine membered cycloalkyl, cycloalkenyl, heterocylcyl, heterocyclenyl, aryl, and heteroaryl ring having 0 to 4, preferably 0 to 2, heteroatoms independently selected from the group consisting of O, S, N and —N(R)—, wherein ring A is unsubstituted or substituted with 1 to 5 independently selected R 1 moieties and/or oxo when ring A is cycloalkyl, cycloalkenyl, heterocyclyl or heterocyclenyl; and R, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 6 , R 7 and R 7′ are as defined in the specification; pharmaceutical compositions comprising the compounds of formula I and the method of inhibiting aspartyl protease, and in particular, the methods of treating cardiovascular diseases, cognitive and neurodegenerative diseases.

  本公开了具有以下式I的化合物或其立体异构体、互变异构体或药学上可接受的盐或溶剂，其中Q是键或—N(R5)—；T是键，—O—，—C(O)—；S，—N(R5)—，或—C(R6′R7′)；U是键或—C(R6)(R7)；Y是C或N；Z是C或N；环A，包括变量Y和Z，是一个有0到4个，优选0到2个杂原子的三至九元环烷基、环烯基、杂环烷基、杂环烯基、芳基和杂芳基环，所述杂原子独立地选自O、S、N和—N(R)—的群，其中环A是未取代的或取代的，当环A是环烷基、环烯基、杂环烷基或杂环烯基时，取代有1到5个独立选择的R1基团和/或氧化物；以及R、R1、R2、R3、R4、R5、R6、R6、R7和R7'如规范中定义；包括具有式I的化合物的药物组合物和抑制天冬氨酸蛋白酶的方法，特别是治疗心血管疾病、认知和神经退行性疾病的方法。
• Diphenylimidazopyrimidine and -imidazole amines as inhibitors of beta-secretase
  申请人：Malamas S. Michael

  公开号：US20050282826A1

  公开（公告）日：2005-12-22

  The present invention provides a compound of formula I and the use thereof for the therapeutic treatment, prevention or amelioration of a disease or disorder characterized by elevated β-amyloid deposits or β-amyloid levels in a patient.

  本发明提供了一种I式化合物及其用于治疗、预防或改善患有β-淀粉样蛋白沉积或患者体内β-淀粉样蛋白水平升高所特征的疾病或障碍的用途。
• Aspartyl protease inhibitors
  申请人：Zhu Zhaoning

  公开号：US20060287294A1

  公开（公告）日：2006-12-21

  Disclosed are compounds of the formula I or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, wherein U, W, A, R, R 1 , R 2 , R 6a and R 7 , are as defined in the specification; and pharmaceutical compositions comprising the compounds of formula I. Also disclosed is the method of inhibiting aspartyl protease, and in particular, the methods of treating cardiovascular diseases, cognitive and neurodegenerative diseases. Also disclosed are methods of treating cognitive or neurodegenerative diseases using the compounds of formula I in combination with a cholinesterase inhibitor or a muscarinic m 1 agonist or m 2 antagonist.

  揭示了具有公式I的化合物或其立体异构体、互变异构体、或其药学上可接受的盐或溶剂，其中U、W、A、R、R1、R2、R6a和R7如规范中定义；以及包含公式I化合物的药物组合物。还公开了抑制天冬氨酸蛋白酶的方法，特别是治疗心血管疾病、认知和神经退行性疾病的方法。还公开了使用公式I化合物结合胆碱酯酶抑制剂或肌胆碱m1激动剂或m2拮抗剂治疗认知或神经退行性疾病的方法。
• ASPARTYL PROTEASE INHIBITORS
  申请人：Wu Yusheng

  公开号：US20070287692A1

  公开（公告）日：2007-12-13

  Disclosed are compounds of formula I or a stereoisomer, tautomer, or pharmaceutically acceptable salt or solvate thereof, U, W, X, R 1 , R 2 , R 6 , R 7 , R 30 and R 31 are as described above in the specification. Also disclosed is the method of inhibiting aspartyl protease, and in particular, the methods of treating cardiovascular diseases, cognitive and neurodegenerative diseases. Also disclosed are methods of treating cognitive or neurodegenerative diseases using the compounds of formula I in combination with a cholinesterase inhibitor or a muscarinic m 1 agonist or m 2 antagonist.

  本文披露了化合物I的结构，或其立体异构体、互变异构体、或其药用可接受的盐或溶剂，其中U、W、X、R1、R2、R6、R7、R30和R31如规范中所述。此外，还披露了抑制天冬氨酸蛋白酶的方法，特别是治疗心血管疾病、认知和神经退行性疾病的方法。还披露了使用化合物I的方法治疗认知或神经退行性疾病，其中与胆碱酯酶抑制剂或肌胆碱m1激动剂或m2拮抗剂结合使用。
• [EN] NOVEL DIPHENYL PURINE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS<br/>[FR] NOUVEAUX DÉRIVÉS DE DIPHÉNYLPURINE UTILES EN TANT QUE MODULATEURS DE RÉCEPTEURS NICOTINIQUES D'ACÉTYLCHOLINE
  申请人：NEUROSEARCH AS

  公开号：WO2010040806A1

  公开（公告）日：2010-04-15

  This invention relates to novel (6-phenyl-5-amino/nitro-pyrimidin-4-yl)- phenyl-amines, which are found to be modulators of the nicotinic acetylcholine receptors. Due to their pharmacological profile the compounds of the invention may be useful for the treatment of diseases or disorders as diverse as those related to the cholinergic system of the central nervous system (CNS), the peripheral nervous system (PNS), diseases or disorders related to smooth muscle contraction, endocrine diseases or disorders, diseases or disorders related to neuro-degeneration, diseases or disorders related to inflammation, pain, and withdrawal symptoms caused by the termination of abuse of chemical substances.

  本发明涉及一种新型的（6-苯基-5-氨基/硝基-嘧啶-4-基）-苯基胺，发现它们是乙酰胆碱受体的调节剂。由于它们的药理特性，本发明的化合物可能用于治疗与中枢神经系统（CNS）和外周神经系统（PNS）的胆碱能系统相关的疾病或障碍，与平滑肌收缩相关的疾病或障碍，内分泌疾病或障碍，与神经退行性相关的疾病或障碍，与炎症、疼痛和化学物质滥用终止引起的戒断症状相关的疾病或障碍。