[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbamate | 105748-54-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbamate
• CAS: 105748-54-7
• 化学式: C₇H₁₁NO₄
• 分子量: 173.169
• InChiKey: VQOKBCMVBVRAEN-BYPYZUCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  反式-1,2-二苯乙烯 、 [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbamate 生成 (2-Hydroxy-1,2-diphenyl-ethyl)-carbamic acid (R)-4,4-dimethyl-2-oxo-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  Hassine, B. Ben; Gorsane, M.; Pecher, J., Bulletin des Societes Chimiques Belges, 1985, vol. 94, # 11-12, p. 759 - 770

  摘要：

  DOI：
• 作为产物：
  描述：

  D-(-)-泛酰内酯 生成 [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] carbamate
  参考文献：
  名称：

  BEN, HASSINE, B.;GORSANE, M.;PECHER, J.;MARTIN, R. H., BULL. SOC. CHIM. BELG., 1985, 94, N 11-12, 759-769

  摘要：

  DOI：

文献信息

• A MEDICAMENT FOR TREATING INFLUENZA CHARACTERIZED BY COMBINING A CAP-DEPENDENT ENDONUCLEASE INHIBITOR AND AN ANTI-INFLUENZA DRUG
  申请人：Shionogi & Co., Ltd.

  公开号：US20200261481A1

  公开（公告）日：2020-08-20

  A medicament characterized in that (A) a compound represented by the formula (I): its pharmaceutically acceptable salt, or a solvate thereof, wherein P is hydrogen or a group to form a prodrug; A 1 is CR 1A R 1B , S or O; A 2 is CR 2A R 2B , S or O; A 3 is CR 3A R 3B , S or O; A 4 is each independently CR 4A R 4B , S or O; the number of hetero atoms among atoms constituting the ring which consists of A 1 , A 2 , A 3 , A 4 , nitrogen atom adjacent to A 1 and carbon atom adjacent to A 4 is 1 or 2; R 1A and R 1B are each independently hydrogen, halogen, alkyl or the like; R 2A and R 2B are each independently hydrogen, halogen, alkyl, or the like; R 3A and R 3B are each independently hydrogen, halogen, alkyl, or the like; R 4A are each independently hydrogen, halogen, alkyl, or the like; R 4B are each independently hydrogen, halogen, alkyl, or the like; R 3A and R 3B may be taken together with an adjacent carbon atom to form non-aromatic carbocycle or non-aromatic heterocycle; n is any integer of 1 to 2; and R 1 is or the like, is combined with (B) compound(s) having an anti-influenza activity, its pharmaceutically acceptable salt or a solvate thereof and/or an antibody having anti-influenza activity, is useful for treating or preventing influenza.

  一种药物，其特征在于（A）由以下式（I）表示的化合物： 其药学上可接受的盐，或其溶剂合物， 其中 P为氢或形成前药的基团; A 1 为CR 1A R 1B 、S或O; A 2 为CR 2A R 2B 、S或O; A 3 为CR 3A R 3B 、S或O; A 4 分别为独立的CR 4A R 4B 、S或O; 构成由A 1 、A 2 、A 3 、A 4 、邻接到A 1 的氮原子和邻接到A 4 的碳原子的环的原子中的杂原子数为1或2; R 1A 和R 1B 分别为独立的氢、卤素、烷基或类似物; R 2A 和R 2B 分别为独立的氢、卤素、烷基或类似物; R 3A 和R 3B 分别为独立的氢、卤素、烷基或类似物; R 4A 分别为独立的氢、卤素、烷基或类似物; R 4B 分别为独立的氢、卤素、烷基或类似物; R 3A 和R 3B 可以与相邻的碳原子结合形成非芳香碳环或非芳香杂环; n为1到2的任意整数; 和 R 1 为 或类似物， 与具有抗流感活性的（B）化合物，其药学上可接受的盐或其溶剂合物和/或具有抗流感活性的抗体结合，用于治疗或预防流感。
• Medicament for treating influenza characterized by combining a Cap-dependent endonuclease inhibitor and an anti-influenza drug
  申请人：Shionogi & Co., Ltd.

  公开号：US11040048B2

  公开（公告）日：2021-06-22

  A medicament characterized in that (A) a compound represented by the formula (I): its pharmaceutically acceptable salt, or a solvate thereof, wherein P is hydrogen or a group to form a prodrug; A1 is CR1AR1B, S or O; A2 is CR2AR2B, S or O; A3 is CR3AR3B, S or O; A4 is each independently CR4AR4B, S or O; the number of hetero atoms among atoms constituting the ring which consists of A1, A2, A3, A4, nitrogen atom adjacent to A1 and carbon atom adjacent to A4 is 1 or 2; R1A and R1B are each independently hydrogen, halogen, alkyl or the like; R2A and R2B are each independently hydrogen, halogen, alkyl, or the like; R3A and R3B are each independently hydrogen, halogen, alkyl, or the like; R4A are each independently hydrogen, halogen, alkyl, or the like; R4B are each independently hydrogen, halogen, alkyl, or the like; R3A and R3B may be taken together with an adjacent carbon atom to form non-aromatic carbocycle or non-aromatic heterocycle; n is any integer of 1 to 2; and R1 is or the like, is combined with (B) compound(s) having an anti-influenza activity, its pharmaceutically acceptable salt or a solvate thereof and/or an antibody having anti-influenza activity, is useful for treating or preventing influenza.

  一种药物，其特征在于 (A) 由式 (I) 所代表的化合物： 其药学上可接受的盐或其溶液、 其中 P 是氢或可形成原药的基团； A1 是 CR1AR1B、S 或 O A2 是 CR2AR2B，S 或 O A3 是 CR3AR3B，S 或 O； A4各自独立地为CR4AR4B、S或O； 在由 A1、A2、A3、A4、与 A1 相邻的氮原子和与 A4 相邻的碳原子构成的环的原子中，杂原子的数目为 1 或 2； R1A 和 R1B 各自独立地为氢、卤素、烷基或类似物； R2A 和 R2B 各自独立地为氢、卤素、烷基或类似物； R3A 和 R3B 各自独立地为氢、卤素、烷基或类似物； R4A 各自独立地为氢、卤素、烷基或类似物； R4B 各自独立地为氢、卤素、烷基或类似物； R3A 和 R3B 可与相邻碳原子一起形成非芳香族碳环或非芳香族杂环； n 是 1 到 2 的任意整数；以及 R1 是 或类似内容、 与（B）具有抗流感活性的化合物、其药学上可接受的盐或其溶解物和/或具有抗流感活性的抗体结合，可用于治疗或预防流感。