1-(2,6-二氯苯基)-6-[[4-(2-羟基乙氧基)苯基]甲基]-3-丙-2-基-2H-吡唑并[3,4-d]嘧啶-4-酮 | 784211-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-(2,6-二氯苯基)-6-[[4-(2-羟基乙氧基)苯基]甲基]-3-丙-2-基-2H-吡唑并[3,4-d]嘧啶-4-酮
• 中文别名: Cdk/Crk抑制剂
• 英文名称: RGB-286147
• 英文别名: RGB286147；1-(2,6-dichlorophenyl)-6-{[4-(2-hydroxyethoxy)phenyl]methyl}-3-(methylethyl)-5-hydropyrazolo[5,4-d]pyrimidin-4-one；Cdk/Crk Inhibitor；1-(2,6-dichlorophenyl)-6-[[4-(2-hydroxyethoxy)phenyl]methyl]-3-propan-2-yl-5H-pyrazolo[3,4-d]pyrimidin-4-one
• CAS: 784211-09-2
• 化学式: C₂₃H₂₂Cl₂N₄O₃
• 分子量: 473.359
• InChiKey: RSQPNXBTPUXMQN-UHFFFAOYSA-N

物化性质

• 沸点：
  677.0±65.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)
• 溶解度：
  DMF：30mg/mL； DMSO：30mg/mL； DMSO:PBS (pH 7.2) (1:4)：0.2 mg/mL

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  88.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2,6-二氯苯基)-6-[[4-(2-羟基乙氧基)苯基]甲基]-3-丙-2-基-2H-吡唑并[3,4-d]嘧啶-4-酮 、 N-Boc-L-缬氨酸 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 24.0h， 以98%的产率得到2-(4-{[1-(2,6-dichlorophenyl)-3-(methylethyl)-4-oxo-5-hydropyrazolo[5,4-d]pyrimidin-6-yl]methyl}phenoxy)ethyl (2S)-2-[(tert-butoxy)carbonylamino]-3-methylbutanoate
  参考文献：
  名称：

  [EN] INHIBITORS OF CYCLIN-DEPENDENT KINASES, COMPOSITIONS AND USES RELATED THERETO
  [FR] INHIBITEURS DE KINASES DEPENDANT DES CYCLINES, COMPOSITIONS ET UTILISATIONS ASSOCIEES

  摘要：

  公开号：

  WO2004092139A3

文献信息

• COMPOUNDS AND METHODS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION
  申请人：FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC.

  公开号：US20180015153A1

  公开（公告）日：2018-01-18

  The present invention concerns the use of compounds for the treatment or prevention of Flavivirus infections, such as Zika virus infections. Aspects of the invention include methods for treating or preventing Flavivirus virus infection, such as Zika virus infection, by administering a compound or class of compound disclosed herein, such as a niclosamide compound, an emricasan compound, a cyclin-dependent kinase inhibitor, a proteasome inhibitor, or a combination of two or more of the foregoing, to a subject in need thereof; methods for inhibiting Flavivirus infections such as Zika virus infections in a cell in vitro or in vivo; pharmaceutical compositions; packaged dosage formulations; and kits for treating or preventing Flavivirus infections, such Zika virus infections.

  本发明涉及化合物用于治疗或预防黄病毒感染，如寨卡病毒感染。该发明的方面包括通过给予本文所披露的化合物或化合物类别，如尼克洛酰胺化合物、恩米卡珊化合物、细胞周期依赖性激酶抑制剂、蛋白酶体抑制剂或前述两种或更多的组合，治疗或预防黄病毒感染，如寨卡病毒感染的方法；在体外或体内抑制黄病毒感染，如寨卡病毒感染的方法；制药组合；包装剂量配方；以及用于治疗或预防黄病毒感染，如寨卡病毒感染的工具包。
• Inhibitors of cyclin-dependent kinases, compositions and uses related thereto
  申请人：GPC Biotech, Inc.

  公开号：US20040266854A1

  公开（公告）日：2004-12-30

  The invention pertains to novel cyclin dependent kinase inhibitors (cdks) and specifically, but not exclusively, as inhibitors of cdk/cyclin complexes. As described herein, the inhibitors of this invention are capable of inhibiting the cell-cycle machinery and consequently may be useful in modulating cell-cycle progression, ultimately controlling cell growth and differentiation. Such compounds would be useful for treating subjects having disorders associated with excessive cell proliferation.

  这项发明涉及新型细胞周期依赖性激酶抑制剂（cdks），具体而言，但不仅限于作为cdk/cyclin复合物的抑制剂。如本文所述，本发明的抑制剂能够抑制细胞周期机制，因此可能有助于调节细胞周期进程，最终控制细胞生长和分化。这样的化合物对于治疗患有与过度细胞增殖相关的疾病的患者将会很有用。
• Methods for making pancreatic endocrine cells
  申请人：Janssen Biotech, Inc.

  公开号：US10421948B2

  公开（公告）日：2019-09-24

  The present invention provides a method for increasing the expression of MAFA in cells expressing markers characteristic of the pancreatic endocrine lineage comprising the steps of culturing the cells expressing markers characteristic of the pancreatic endocrine lineage in medium comprising a sufficient amount of a cyclin-dependent kinase inhibitor to cause an increase in expression of MAFA.

  本发明提供了一种提高表达胰腺内分泌系特征标记的细胞中 MAFA 表达量的方法，该方法包括以下步骤：在含有足量细胞周期蛋白依赖性激酶抑制剂的培养基中培养表达胰腺内分泌系特征标记的细胞，以引起 MAFA 表达量的增加。
• Compounds and methods for treatment and prevention of Flavivirus infection
  申请人：FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC.

  公开号：US10940188B2

  公开（公告）日：2021-03-09

  The present invention concerns the use of compounds for the treatment or prevention of Flavivirus infections, such as Zika virus infections. Aspects of the invention include methods for treating or preventing Flavivirus virus infection, such as Zika virus infection, by administering a compound or class of compound disclosed herein, such as a niclosamide compound, an emricasan compound, a cyclin-dependent kinase inhibitor, a proteasome inhibitor, or a combination of two or more of the foregoing, to a subject in need thereof; methods for inhibiting Flavivirus infections such as Zika virus infections in a cell in vitro or in vivo; pharmaceutical compositions; packaged dosage formulations; and kits for treating or preventing Flavivirus infections, such Zika virus infections.

  本发明涉及使用化合物治疗或预防弗拉维病毒感染，如寨卡病毒感染。本发明的方面包括通过向有需要的受试者施用本文公开的化合物或化合物类别，如烟酰胺化合物、依木酰胺化合物、细胞周期蛋白依赖性激酶抑制剂、蛋白酶体抑制剂或上述两种或多种的组合，治疗或预防弗拉维病毒感染，如寨卡病毒感染的方法；抑制体外或体内细胞中黄病毒感染（如寨卡病毒感染）的方法；药物组合物；包装剂型；以及治疗或预防黄病毒感染（如寨卡病毒感染）的试剂盒。
• DIFFERENTIATION OF HUMAN EMBRYONIC STEM CELLS TO THE PANCREATIC ENDOCRINE LINEAGE
  申请人：Janssen Biotech, Inc.

  公开号：EP2346988B1

  公开（公告）日：2017-05-31