(R)-2-methyl-6-nitro-2-(4-{4-[(E)-3-(4-trifluoromethoxyphenyl)-2-propenyl]piperazin-1-yl}phenoxymethyl)-2,3-dihydroimidazo[2,1-b]oxazole

• 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: (R)-2-methyl-6-nitro-2-(4-{4-[(E)-3-(4-trifluoromethoxyphenyl)-2-propenyl]piperazin-1-yl}phenoxymethyl)-2,3-dihydroimidazo[2,1-b]oxazole
• 英文别名: (R)-2-methyl-6-nitro-2-(4-{4-[3-(4-trifluoromethoxyphenyl)-2-propenyl]piperazin-1-yl}phenoxymethyl)-2,3-dihydroimidazolo[2,1-b]oxazole；(R)-2-methyl-6-nitro-2-(4-{4-[3-(4-trifluoromethoxyphenyl)-2-propenyl]piperazin-1-yl}phenoxymethyl)-2,3-dihydroimidazo[2,1-b]oxazole；(R)-2-methyl-6-nitro-2-{4-[4-(4-trifluoromethoxycinnamyl)piperazin-1-yl]phenoxymethyl}-2,3-dihydroimidazolo[2,1-b]oxazole；(R)-2-methyl-6-nitro-2-{4-[4-(4-trifluoromethoxycinnamyl)piperazin-1-yl]phenoxymethyl}-2,3-dihydroimidazo[2,1-b]oxazole；(2R)-2-methyl-6-nitro-2-[[4-[4-[(E)-3-[4-(trifluoromethoxy)phenyl]allyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b]oxazole；(2R)-2-methyl-6-nitro-2-[[4-[4-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
• 化学式: C₂₇H₂₈F₃N₅O₅
• 分子量: 559.545
• InChiKey: WZGKANMGWUJLBT-DXPVHIICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  97.8
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis
  申请人：Tsubouchi Hidetsugu

  公开号：US20080119478A1

  公开（公告）日：2008-05-22

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: (1) in the above formula (1), R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R1 and —(CH2) n R2 may form a spiro ring represented by the formula (30) below, together with the adjacent carbon atom (in the formula below, RRR represents a piperidyl group which may have substituents on the piperidine ring), (30) and R2 represents a benzothiazolyloxy group, quinolyloxy group, pyridyloxy group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种由下述通式（1）表示的2,3-二氢-6-硝基咪唑[2,1-b]噁唑化合物： 在上述式（1）中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R1和—(CH2)nR2可以与相邻的碳原子形成如下式（30）所示的螺环，其中，在下式中，RRR代表可能在哌啶环上具有取代基的哌啶基： （30）且R2代表苯并噻唑氧基、喹啉氧基、吡啶氧基或类似基团。该化合物对结核分枝杆菌、多重耐药结核分枝杆菌和非典型酸杆菌具有优异的杀菌作用。
• Antituberculous composition comprising oxazole compounds
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP2269694A2

  公开（公告）日：2011-01-05

  The present invention provides antituberculous therapeutic drugs with a higher potency. The present invention provides also antituberculous therapeutic drugs containing oxazole compounds represented by (I) general formula (1): [wherein R1 represents a hydrogen atom or C1-6 alkyl group, n represents an integer of 0-6, and R2 represents general formula (A) or the like, wherein R represents a phenoxy group (at least one group selected from the group consisting of a halogen atom, an optionally halogen-substituted C1-6 alkyl group and an optionally halogen-substituted C1-6 alkoxy group may be substituted on the phenyl ring) or the like], optically active forms thereof or salts thereof, and drugs (II) such as secondary antituberculous drugs.

  本发明提供了效力更高的抗结核治疗药物。本发明还提供了含有由(I)通式(1)代表的噁唑化合物的抗结核治疗药物：[其中R1代表氢原子或C1-6烷基，n代表0-6的整数，R2代表通式(A)或类似物，其中R代表苯氧基（至少一个选自卤素原子、任选卤素取代的C1-6烷基和任选卤素取代的C1-6烷氧基组成的组中的基团可在苯基环上被取代）或类似物]，其光学活性形式或其盐，以及药物(II)如二级抗结核药物。
• ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS
  申请人：Matsumoto Makoto

  公开号：US20090275528A1

  公开（公告）日：2009-11-05

  The present invention provides antituberculous therapeutic drugs with a higher potency. The present invention provides also antituberculous therapeutic drugs containing oxazole compounds represented by (I) general formula (1): [wherein R 1 represents a hydrogen atom or C1-6 alkyl group, n represents an integer of 0-6, and R 2 represents general formula (A) or the like, wherein R 3 represents a phenoxy group (at least one group selected from the group consisting of a halogen atom, an optionally halogen-substituted C1-6 alkyl group and an optionally halogen-substituted C1-6 alkoxy group may be substituted on the phenyl ring) or the like], optically active forms thereof or salts thereof, and drugs (II) such as primary antituberculous drugs.
• US8163753B2
  申请人：——

  公开号：US8163753B2

  公开（公告）日：2012-04-24
• US8987304B2
  申请人：——

  公开号：US8987304B2

  公开（公告）日：2015-03-24