7-{7-[5-(acetylaminomethyl)-2-oxo-oxazolidin-3-yl]-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinolne-3-carboxylic acid | 848194-26-3

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 7-{7-[5-(acetylaminomethyl)-2-oxo-oxazolidin-3-yl]-1,3,4,5-tetrahydro-benzo[c]azepin-2-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-quinolne-3-carboxylic acid
• 英文别名: 7-[7-[5-(Acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
• CAS: 848194-26-3
• 化学式: C₂₉H₂₉FN₄O₆
• 分子量: 548.571
• InChiKey: KERFTPAIAFKPNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• Antibacterial agents
  申请人：Hagen Susan

  公开号：US20050070523A1

  公开（公告）日：2005-03-31

  Compounds of formula I and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula I as well as pharmaceutically acceptable compositions comprising compounds of formula I. Compounds of formula I as disclosed herein can be used in a variety of applications, including using the invention compounds to treat bacterial infections.

  本发明公开了化学式I的化合物及其制备方法。还公开了制备具有生物活性的化学式I化合物的方法，以及包含化学式I化合物的药学上可接受的组合物的制备方法。如本文所述的化学式I化合物可用于各种应用，包括使用发明化合物治疗细菌感染。
• Preparation of (S)-clopidogrel and related compounds
  申请人：Silva A. Richard

  公开号：US20050049226A1

  公开（公告）日：2005-03-03

  A process for producing enantiomerically enriched (S)-α-(2-chlorophenyl)-6,7-dihydrothieno[3,2-c]pyridine-5 (4H)-acetic acid hydrocarbyl ester, represented by the formula: Is provided, wherein R 1 and R 2 are hydrogens and R 3 is methyl (i.e., (S)-Clopidogrel). The process includes the steps of: (a) contacting N-2-chlorobenz-aldehyde-ylidene-1-ethylamine-2 (2-thiophenyl)imine and an HCN source, in the presence of a non-metallic asymmetric Strecker catalyst to form enantiomerically enriched (S)-α,α-(2-thiophenylethylamino) (2-chlorophenyl) acetonitrile; (b) contacting the enantiomerically enriched (s)-α,α-(2-thiophenylethylamino) (2-chlorophenyl) acetonitrile and a formaldehyde equivalent, in the presence of an acid catalyst to form enantiomerically enriched α-5 (4,5,6,7-tetrahydro[3,2-c] thienopyridyl) (2-chlorobenzyl)-nitrile; and (c) contacting the enantiomerically enriched α-5(4,5,6,7-tetrahydro[3,2-c] thienopyridyl) (2-chlorobenzyl)-nitrile and a reagent capable of converting a cyano group into an ester group to form enantiomerically enriched hydrocarbyl ester of (S)-α-(2-chlorophenyl)-6,7-dihydrothieno-[3,2-c]pyridine-5(4H)-acetic acid.

  一种生产对映体富集的(S)-α-(2-氯苯基)-6,7-二氢噻吩并[3,2-c]吡啶-5 (4H)-乙酸烃基酯的工艺，由式表示： 提供，其中 R 1 和 R 2 是氢，R 3 为甲基（即 (S)-氯吡格雷）。该工艺包括以下步骤(a) 在非金属不对称 Strecker 催化剂存在下，将 N-2-氯苯甲醛亚基-1-乙胺-2 (2-噻吩基)亚胺和 HCN 源接触，形成对映体富集的 (S)-α,α-(2-噻吩基乙基氨基) (2-氯苯基) 乙腈；(b) 在酸催化剂存在下，将对映体富集的(s)-α,α-(2-噻吩基乙基氨基)(2-氯苯基)乙腈与甲醛当量接触，形成对映体富集的α-5 (4,5,6,7-四氢[3,2-c]噻吩吡啶基)(2-氯苄基)-腈；(c) 将对映体富集的α-5(4,5,6,7-四氢[3,2-c]噻吩吡啶基)(2-氯苄基)-腈与能够将氰基转化为酯基的试剂接触，形成(S)-α-(2-氯苯基)-6,7-二氢噻吩并[3,2-c]吡啶-5(4H)-乙酸的对映体富集的烃基酯。
• ANTIBACTERIAL AGENTS
  申请人：Warner-Lambert Company LLC

  公开号：EP1670793A1

  公开（公告）日：2006-06-21
• JP2007505880A
  申请人：——

  公开号：JP2007505880A

  公开（公告）日：2007-03-15
• US7304050B2
  申请人：——

  公开号：US7304050B2

  公开（公告）日：2007-12-04