F901318 | 1928707-56-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: F901318
• 英文别名: olorofim；2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide；Olorofim；2-(1,5-dimethyl-3-phenylpyrrol-2-yl)-N-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]phenyl]-2-oxoacetamide
• CAS: 1928707-56-5
• 化学式: C₂₈H₂₇FN₆O₂
• 分子量: 498.56
• InChiKey: SUFPWYYDCOKDLL-UHFFFAOYSA-N

物化性质

• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-(4-硝基苯基)哌嗪 在 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 8.5h， 生成 F901318
  参考文献：
  名称：

  [EN] PHARMACEUTICAL FORMULATION
  [FR] PRÉPARATION PHARMACEUTIQUE

  摘要：

  提供适合口服的药物组合物，包括颗粒2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧基乙酰胺。还提供适合肌肉注射的药物组合物，其中组合物包括2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧基乙酰胺。这些组合物对需要治疗真菌感染的患者有用。

  公开号：

  WO2017203270A1

文献信息

• [EN] ANTIFUNGAL AGENTS<br/>[FR] AGENTS ANTIFONGIQUES
  申请人：F2G LTD

  公开号：WO2016079536A1

  公开（公告）日：2016-05-26

  The invention provides a pyrrole compound, which compound is (a)2-(1,5-dimethyl-3- phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2- oxoacetamideor a deuterated derivative thereof, or(b)2-(1,5-dimethyl-3-phenyl-1H-pyrrol- 2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or a deuterated derivative thereof, or (c) a prodrug of compound (a) or a prodrug of compound (b), or a pharmaceutically acceptable salt or agriculturally acceptable salt of (a), (b) or (c). Also provided are combinations and compositions comprising the compound and known antifungal agents. The invention also relates to the therapeutic use of a compound of the invention in prevention or treatment of fungal diseases. It also relates to the use of:2-(1,5-dimethyl-3-phenyl-1H- pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, or 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4- (5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, as an agricultural fungicide.

  该发明提供了一种吡咯烷化合物，该化合物为(a)2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟吡啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其氘代衍生物，或(b)2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟吡啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其氘代衍生物，或(c) 化合物(a)的前药或化合物(b)的前药，或(a)、(b)或(c)的药用可接受盐或农业可接受盐。还提供了包含该化合物和已知抗真菌药物的组合物和配方。该发明还涉及利用该发明的化合物预防或治疗真菌病的治疗用途。还涉及使用2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟吡啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其农业可接受盐，或2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟吡啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其农业可接受盐，作为农业杀菌剂。
• [EN] PHARMACEUTICAL FORMULATION<br/>[FR] PRÉPARATION PHARMACEUTIQUE
  申请人：F2G LTD

  公开号：WO2017203270A1

  公开（公告）日：2017-11-30

  A pharmaceutical composition suitable for oral administration comprising particles of 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide is provided. Also provided is a pharmaceutical composition suitable for parenteral administration wherein the composition comprises 2-(1,5-dimethyl- 3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide. The compositions are useful in the treatment of fungal infection in a subject in need thereof.

  提供适合口服的药物组合物，包括颗粒2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧基乙酰胺。还提供适合肌肉注射的药物组合物，其中组合物包括2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧基乙酰胺。这些组合物对需要治疗真菌感染的患者有用。
• ANTIFUNGAL AGENTS
  申请人：F2G LIMITED

  公开号：US20170340607A1

  公开（公告）日：2017-11-30

  The invention provides a pyrrole compound, which compound is (a) 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamideor a deuterated derivative thereof, or (b) 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or a deuterated derivative thereof, or (c) a prodrug of compound (a) or a prodrug of compound (b), or a pharmaceutically acceptable salt or agriculturally acceptable salt of (a), (b) or (c). Also provided are combinations and compositions comprising the compound and known antifungal agents. The invention also relates to the therapeutic use of a compound of the invention in prevention or treatment of fungal diseases. It also relates to the use of: 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, or 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, as an agricultural fungicide.

  本发明提供一种吡咯化合物，该化合物为(a) 2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其氘代衍生物，或(b) 2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其氘代衍生物，或(c) 化合物(a)或化合物(b)的前药，或(a)、(b)或(c)的药学可接受盐或农业可接受盐。还提供了包含该化合物和已知抗真菌药物的组合物和组成物。本发明还涉及在预防或治疗真菌病中使用本发明中化合物的治疗用途。本发明还涉及将2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其农业可接受盐，或2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其农业可接受盐用作农业杀菌剂。
• [EN] PYRROLE DERIVATIVE, AND PREPARATION METHOD AND USE THEREFOR<br/>[FR] DÉRIVÉ DE PYRROLE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 一种吡咯衍生物及其制备方法和用途
  申请人：SHENZHEN SUNGENING BIO MEDICAL CO LTD

  公开号：WO2022134837A1

  公开（公告）日：2022-06-30

  提供了一种吡咯衍生物及其制备方法和用途，该类化合物对DHODH具有明显的抑制、阻断作用，可作为DHODH专一性抑制剂，可用以制备治疗真菌感染导致的疾病的药物，还可用于制备农业杀真菌剂，具有广阔的应用前景。
• Antifungal agents
  申请人：F2G LIMITED

  公开号：US10201524B2

  公开（公告）日：2019-02-12

  The invention provides a pyrrole compound, which compound is (a) 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide or a deuterated derivative thereof, or (b) 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or a deuterated derivative thereof, or (c) a prodrug of compound (a) or a prodrug of compound (b), or a pharmaceutically acceptable salt or agriculturally acceptable salt of (a), (b) or (c). Also provided are combinations and compositions comprising the compound and known antifungal agents. The invention also relates to the therapeutic use of a compound of the invention in prevention or treatment of fungal diseases. It also relates to the use of: 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)phenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, or 2-(1,5-dimethyl-3-phenyl-1H-pyrrol-2-yl)-N-(4-(4-(5-fluoropyrimidin-2-yl)piperazin-1-yl)-3-hydroxyphenyl)-2-oxoacetamide or an agriculturally acceptable salt thereof, as an agricultural fungicide.

  本发明提供了一种吡咯化合物，该化合物是(a)2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其氘代衍生物，或(b)2-(1、5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其氘代衍生物，或(c)化合物(a)的原药或化合物(b)的原药，或(a)、(b)或(c)的药学上可接受的盐或农业上可接受的盐。本发明还提供了由本发明化合物和已知抗真菌剂组成的组合物。本发明还涉及本发明化合物在预防或治疗真菌疾病中的治疗用途。本发明还涉及以下物质的用途：2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)苯基)-2-氧代乙酰胺或其农业上可接受的盐，或 2-(1、2-(1,5-二甲基-3-苯基-1H-吡咯-2-基)-N-(4-(4-(5-氟嘧啶-2-基)哌嗪-1-基)-3-羟基苯基)-2-氧代乙酰胺或其农业上可接受的盐，作为农业杀真菌剂。