7-[7-(tert-butoxycarbonylamino)-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid | 931411-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-[7-(tert-butoxycarbonylamino)-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• 英文别名: 6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-7-[7-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5-azaspiro[2.4]heptan-5-yl]-4-oxoquinoline-3-carboxylic acid
• CAS: 931411-95-9
• 化学式: C₂₆H₃₁F₂N₃O₆
• 分子量: 519.545
• InChiKey: NUYUIHCIYBVEPV-OCWAHVNLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  37
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  7-[7-(tert-butoxycarbonylamino)-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid 在 盐酸 水 作用下， 以 异丙醇 为溶剂， 反应 3.5h， 以92%的产率得到7-[7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid hydrochloride
  参考文献：
  名称：

  WO2006/123792

  摘要：

  公开号：
• 作为产物：
  描述：

  (-)-7-(tert-butoxycarbonylamino)-7-methyl-5-azaspiro[2.4]heptane 、 difluoroborane {6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropan-1-yl]-1,4-dihydro-8-methoxy-4-oxoquinolin-3-yl}carboxylate 在 三乙胺 三乙胺 、 水 作用下， 以 二甲基亚砜 、 乙醇 为溶剂， 反应 16.0h， 以91%的产率得到7-[7-(tert-butoxycarbonylamino)-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  WO2006/123792

  摘要：

  公开号：

文献信息

• Tri-, tetra-substituted-3-aminopyrrolidine derivative
  申请人：Takahashi Hisashi

  公开号：US20060264428A1

  公开（公告）日：2006-11-23

  A quinolone synthetic antibacterial agent and a therapeutic agent for an infection which exhibit broad spectrum and strong antibacterial activity for both Gram positive and Gram negative bacteria, and which are also highly safe are provided. The compound provided is represented by following formula (I): wherein R 1 and R 2 represent hydrogen atom, or the like; R 3 represents an alkyl group containing 1 to 6 carbon atoms, or the like; R 4 and R 5 independently represents hydrogen atom, an alkyl group containing 1 to 6 carbon atoms, or the like, with the proviso that R 4 and R 5 do not simultaneously represent hydrogen atom; or the substituents R 4 and R 5 together represent (a) a 3- to 6-membered cyclic structure including the carbon atom shared by R 4 and R 5 to form a spirocyclic structure with the pyrrolidine ring; R 6 and R 7 independently represents hydrogen atom, an alkyl group containing 1 to 6 carbon atoms, or the like; R 8 represents a halogen-substituted alkyl group containing 1 to 6 carbon atoms, or the like; X 1 represents hydrogen atom or a halogen atom; A represents nitrogen atom or a moiety represented by formula (II):

  提供了一种喹诺酮合成抗菌剂和治疗感染的药物，对革兰氏阳性和革兰氏阴性细菌均表现出广谱和强效的抗菌活性，并且具有很高的安全性。所提供的化合物由以下式（I）表示： 其中R1和R2代表氢原子，或类似物；R3代表含有1至6个碳原子的烷基基团，或类似物；R4和R5独立地代表氢原子，含有1至6个碳原子的烷基基团，或类似物，但R4和R5不同时代表氢原子；或取代基R4和R5一起代表（a）包括由R4和R5共享的碳原子形成螺环结构与吡咯烷环形成螺环结构的3至6成员环结构；R6和R7独立地代表氢原子，含有1至6个碳原子的烷基基团，或类似物；R8代表含有1至6个碳原子的卤代烷基基团，或类似物；X1代表氢原子或卤原子；A代表氮原子或由式（II）表示的基团。
• TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE
  申请人：TAKAHASHI Hisashi

  公开号：US20090253726A1

  公开（公告）日：2009-10-08

  A quinolone synthetic antibacterial agent and a therapeutic agent for an infection which exhibit broad spectrum and strong antibacterial activity for both Gram positive and Gram negative bacteria, and which are also highly safe are provided. The compound provided is represented by formula (I):

  提供了一种喹诺酮合成抗菌剂和治疗感染的药物，具有广谱和强大的抗菌活性，对革兰氏阳性和革兰氏阴性细菌均有作用，并且非常安全。所提供的化合物由式（I）表示。
• Method for Production of Quinolone-Containing Lyophilized Preparation
  申请人：Nishimoto Norihiro

  公开号：US20080300403A1

  公开（公告）日：2008-12-04

  The present invention is directed to a lyophilized preparation which contains a synthetic quinolone antibacterial compound and, as a solo additive, a pH-adjusting agent, and which exhibits an excellent reconstituting property. The invention provides a method for producing a lyophilized preparation containing a synthetic quinolone antibacterial compound as an active ingredient, characterized by including, sequentially, cooling an aqueous solution containing a synthetic quinolone antibacterial compound and a pH-adjusting agent to yield a frozen product, elevating the temperature of the frozen product, and re-cooling the resultant to prepare the lyophilized preparation.

  本发明涉及一种冻干制剂，其包含合成喹诺酮类抗菌化合物和一个pH调节剂作为单一添加剂，并表现出优异的重构性能。本发明提供了一种制备含有合成喹诺酮类抗菌化合物作为活性成分的冻干制剂的方法，其特征在于依次包括将含有合成喹诺酮类抗菌化合物和pH调节剂的水溶液冷却以产生冻结产物，提高冻结产物的温度，然后再次冷却以制备冻干制剂。
• Hydrate for medical purposes
  申请人：Daiichi Sankyo Company, Limited

  公开号：US08003666B2

  公开（公告）日：2011-08-23

  The present invention relates to [7-[(7S)-7-amino-7-methyl-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-8-methoxy-1,4-dihydro-4-oxoquinoline-3-carboxylic acid hemihydrate. This hemihydrate is stable and easy to prepare, and has excellent properties for a pharmaceutical bulk powder.

  本发明涉及[7-[(7S)-7-氨基-7-甲基-5-氮杂螺[2.4]庚烷-5-基]-6-氟-1-[(1R,2S)-2-氟环丙基]-8-甲氧基-1,4-二氢-4-氧喹啉-3-羧酸半水合物。该半水合物稳定易于制备，具有优异的药用原料粉末性能。
• TRI- OR TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVES
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP1882689A1

  公开（公告）日：2008-01-30

  A quinolone synthetic antibacterial agent and a therapeutic agent for an infection which exhibit broad spectrum and strong antibacterial activity for both Gram positive and Gram negative bacteria, and which are also highly safe are provided. The compound provided is represented by following formula (I): wherein R1 and R2 represent hydrogen atom, or the like; R3 represents an alkyl group containing 1 to 6 carbon atoms, or the like; R4 and R5 independently represents hydrogen atom, an alkyl group containing 1 to 6 carbon atoms, or the like, with the proviso that R4 and R5 do not simultaneously represent hydrogen atom; or the substituents R4 and R5 together represent (a) a 3- to 6-membered cyclic structure including the carbon atom shared by R4 and R5 to form a spirocyclic structure with the pyrrolidine ring; R6 and R7 independently represents hydrogen atom, an alkyl group containing 1 to 6 carbon atoms, or the like; R8 represents a halogen-substituted alkyl group containing 1 to 6 carbon atoms, or the like; X1 represents hydrogen atom or a halogen atom; A represents nitrogen atom or a moiety represented by formula (II):

  本发明提供了一种喹诺酮类合成抗菌剂和一种治疗感染的药物，对革兰氏阳性菌和革兰氏阴性菌均具有广谱、强效的抗菌活性，而且安全性高。所提供的化合物由下式(I)表示： 其中 R1 和 R2 代表氢原子或类似物；R3 代表含有 1 至 6 个碳原子的烷基或类似物；R4 和 R5 独立地代表氢原子、含有 1 至 6 个碳原子的烷基或类似物，但 R4 和 R5 不同时代表氢原子；或取代基 R4 和 R5 共同代表 (a) 3 至 6 元环状结构，包括 R4 和 R5 共用的碳原子，与吡咯烷环形成螺环结构；R6 和 R7 独立代表氢原子、含 1 至 6 个碳原子的烷基或类似物；R8 代表含 1 至 6 个碳原子的卤素取代烷基或类似物；X1 代表氢原子或卤素原子；A 代表氮原子或式 (II) 所代表的分子：