3-[[3-Carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]sulfanylmethyl]-7-[[2-[(6-chloro-7-hydroxy-2-oxochromene-3-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 3-[[3-Carboxy-4-(3-hydroxy-6-oxoxanthen-9-yl)phenyl]sulfanylmethyl]-7-[[2-[(6-chloro-7-hydroxy-2-oxochromene-3-carbonyl)amino]acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• 化学式: C₄₀H₂₆ClN₃O₁₃S₂
• 分子量: 856.2
• InChiKey: PPKNYFHOGOVCAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  59
• 可旋转键数：
  10
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  297
• 氢给体数：
  6
• 氢受体数：
  15

文献信息

• Substrates for beta-lactamase and uses thereof
  申请人：Tsien Y. Roger

  公开号：US20070184513A1

  公开（公告）日：2007-08-09

  Substrates for β-lactamase of the general formula I in which one of X and Y is a fluorescent donor moiety and the other is a quencher (which may or may not re-emit); R′ is selected from the group consisting of H, lower (i.e., alkyl of 1 to about 5 carbon atoms) and (CH 2 ) n OH, in which n is 0 or an integer from 1 to 5; R″ is selected from the group consisting of H, physiologically acceptable metal and ammonium cations, CHR 2 OCO(CH 2 ) n CH 3 , —CHR 2 OCOC (CH 3 ) 3 , acylthiomethyl, acyloxy-alpha -benzyl, delta-butyrolactonyl, methoxycarbonyloxymethyl, phenyl, methylsulphinylmethyl, beta-morpholinoethyl, dialkylaminoethyl, acyloxyalkyl, dialkylaminocarbonyloxymethyl and aliphatic, in which R 2 is selected from the group consisting of H and lower alkyl; A is selected from the group consisting of S, O, SO, SO 2 and CH 2 ; and Z′ and Z″ are linkers for the fluorescent donor and quencher moieties. Methods of assaying β-lactamase activity and monitoring expression in systems using β-lactamase as a reporter gene also are disclosed.

  通式I的β-内酰胺酶底物，其中X和Y中的一个是荧光给体基团，另一个是猝灭剂（可以或不可以再发射）；R'从H，较低的（即1到约5个碳原子的烷基）和（CH2）nOH中选择，其中n为0或1到5的整数；R"从H，生理上可接受的金属和铵阳离子，CHR2OCO（CH2）nCH3，—CHR2OCOC（CH3）3，酰硫甲基，酰氧-α-苯甲基，δ-丁酰内酯，甲氧羰氧甲基，苯基，甲硫氧甲基，β-吗啡啉乙基，二烷基氨基乙基，酰氧烷基，二烷基氨基羰氧甲基和脂肪族中选择，其中R2从H和较低的烷基中选择；A从S，O，SO，SO2和CH2中选择；Z'和Z"是荧光给体和猝灭剂基团的连接器。还公开了评估β-内酰胺酶活性和使用β-内酰胺酶作为报告基因监测表达的方法。
• PROMISCUOUS G-PROTEIN COMPOSITIONS AND THEIR USE
  申请人：INVITROGEN CORPORATION

  公开号：EP1012324B1

  公开（公告）日：2008-02-20
• US7157575B2
  申请人：——

  公开号：US7157575B2

  公开（公告）日：2007-01-02
• US8071761B2
  申请人：——

  公开号：US8071761B2

  公开（公告）日：2011-12-06