8-[[[5-氯-2-[3,4-二甲基-3,4-双(羟甲基)-1-吡咯烷基]-4-吡啶基]羰基]氨基]-1-(4-氟苯基)-4，5-二氢-1H-苯并[g]吲唑-3-羧酰胺 | 1187460-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 8-[[[5-氯-2-[3,4-二甲基-3,4-双(羟甲基)-1-吡咯烷基]-4-吡啶基]羰基]氨基]-1-(4-氟苯基)-4，5-二氢-1H-苯并[g]吲唑-3-羧酰胺
• 中文别名: (乙醇)
• 英文名称: 8-[[2-[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide
• CAS: 1187460-81-6
• 化学式: C₃₂H₃₂ClFN₆O₄
• 分子量: 619.1
• InChiKey: JUOWWGNRWRLBSV-MEKGRNQZSA-N

物化性质

• 沸点：
  790.6±60.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)
• 溶解度：
  在 DMSO 中溶解度为 100 mM

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  8

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。
• 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。
• [EN] COMPOUNDS AND METHODS FOR TREATMENT AND PREVENTION OF FLAVIVIRUS INFECTION<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT OU DE PRÉVENTION D'INFECTIONS À FAVIVIRUS
  申请人：UNIV FLORIDA STATE RES FOUND

  公开号：WO2018017426A1

  公开（公告）日：2018-01-25

  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.