[(2,2-dimethylpropanoyl)-oxy]-methyl (5R,6S)-3-(4-{[(aminocarbonyl)-amino]-methyl}-phenyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | 524070-97-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮
• 英文名称: [(2,2-dimethylpropanoyl)-oxy]-methyl (5R,6S)-3-(4-{[(aminocarbonyl)-amino]-methyl}-phenyl)-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• 英文别名: 2,2-dimethylpropanoyloxymethyl (5R,6S)-3-[4-[(carbamoylamino)methyl]phenyl]-6-[(1R)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• CAS: 524070-97-1
• 化学式: C₂₃H₂₉N₃O₇
• 分子量: 459.499
• InChiKey: QEYXZOVJMNLXAA-CSMYWGQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  33
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Novel carbapenem compounds
  申请人：Sunagawa Makoto

  公开号：US20050020566A1

  公开（公告）日：2005-01-27

  A compound or its pharmaceutically acceptable salt represented by the following formula: The invention is a carbapenem compound which has a potent antibacterial activity over a broad range of Gram negative and Gram positive bacteria, especially penicillin-resistant Streptococcus pneumoniae (PRSP) which has been isolated at an elevated frequency in recent years and thus causes a serious clinical problem, and Haemophilus influenzae which has acquired resistance against the existing β-lactam antibiotics over a wide scope due to penicillin-binding protein (PBP) mutations such as β-lactamase non-producing ampicillin-resistant (BLNAR) Haemophilus influenzae, and has excellent oral absorbability.

  以下是化合物或其药学上可接受的盐的化学式： 该发明是一种羧甲基青霉烯化合物，具有广谱的抗革兰氏阴性和革兰氏阳性细菌的强效抗菌活性，特别是耐青霉素的肺炎链球菌（PRSP），这些菌株在近年来被高频率地分离出来，因此引起了严重的临床问题，以及流感嗜血杆菌，由于青霉素结合蛋白（PBP）突变，如β-内酰胺酶非产生性氨苄西林耐药（BLNAR）流感嗜血杆菌而对现有的β-内酰胺类抗生素产生了抗药性，并且具有优异的口服吸收性。
• NOVEL CARBAPENEM COMPOUNDS
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1443047A1

  公开（公告）日：2004-08-04

  Novel carbapenem compounds represented by the following general formula [1] or pharmaceutically acceptable salts thereof: [1], wherein the ring E represents a benzene ring or a thiophene ring; R1 represents alkyl, etc., A represents alkylene, etc.; R0 represents hydrogen atom, carbamoyl, carboxyl, etc.; R represents hydrogen atom, etc.; and Y represents hydrogen atom, alkyl, etc. It is intended to provide β-lactum drugs having an excellent antimicrobial activity against influenza viruses which have acquired broad resistance to existing β-lactum drugs as the results of penicillin binding protein (PBP) mutations in gram-positive strains and gram-negative strains over a wide scope, in particular, penicillin resistant Streptococcus pneumoniae (PRSP), etc.

  由以下通式[1]代表的新型碳青霉烯类化合物或其药学上可接受的盐类：[1]，其中环E代表苯环或噻吩环；R1代表烷基等，A代表亚烷基等；R0代表氢原子、氨基甲酰基、羧基等；R代表氢原子等；Y代表氢原子、烷基等。本发明旨在提供对流感病毒具有优异抗菌活性的β-内酰胺类药物，这些流感病毒由于革兰氏阳性菌株和革兰氏阴性菌株中的青霉素结合蛋白（PBP）突变而对现有的β-内酰胺类药物产生广泛的抗药性，特别是对青霉素耐药的肺炎链球菌（PRSP）等。
• US7205291B2
  申请人：——

  公开号：US7205291B2

  公开（公告）日：2007-04-17