2-Methyl-4-aethyl-1,3-cyclopentandion | 42996-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-Methyl-4-aethyl-1,3-cyclopentandion
• 英文别名: 2-Methyl-4-ethylcyclopentane-1,3-dione；4-ethyl-2-methyl-cyclopentane-1,3-dione；4-Aethyl-2-methyl-cyclopentan-1,3-dion；4-Ethyl-2-methylcyclopentane-1,3-dione
• CAS: 42996-01-0
• 化学式: C₈H₁₂O₂
• 分子量: 140.182
• InChiKey: UDFNGONTGHSKKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基-1,3-环戊二酮 生成 2-Methyl-4-aethyl-1,3-cyclopentandion
  参考文献：
  名称：

  MELLOR M.; PATTENDEN G., SYNTH. COMMUN., 1979, 9, NO 1, 1-4

  摘要：

  DOI：

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（ ）n ，—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 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。
• Novel fluorogenic substrates for beta-lactamase gene expression
  申请人：Tsien Y. Roger

  公开号：US20070020715A1

  公开（公告）日：2007-01-25

  Provided are fluorescent substrates β-lactamases and methods of using substrates having the general formulas: or in which where R 1 is H or A is S, O, SO, SO 2 or CH 2 ; X is O; L is a linker; R 2 is hydrogen; R 3 is hydrogen; R 4 is hydrogen; R 5 is hydrogen; R 6 is hydrogen; R 7 is hydrogen; R 8 is hydrogen; R 9 is in which W is a hydrogen, alkyl, substituted heteroalkyl, aryl, a heteroaryl, substituted heteroaryl or a CN; and, S is an integer from 0 to 5; W′ and W″ are independently hydrogen, alkyl, substituted heteroalkyl, aryl, substituted heteroaryl, (═O) or OR 10 ; wherein R 10 is hydrogen, substituted alkyl, heteroalkyl, substituted heteroalkyl, aryl, substituted aryl, heteroaryl; or substituted heteroaryl; and, Y is a dye moiety or a quencher moiety. R is a benzyl, 2-thienylmethyl, or cyanomethyl group; R′ is selected from the group consisting of H, physiologically acceptable salts or metal, ester groups, ammonium cations, —CHR 2 OCO(CH 2 ) n CH 3 , —CHR 2 OCOC(CH 3 ) 3 , acylthiomethyl, acyloxy-alpha-benzyl, deltabutyrolactonyl, methoxycarbonyloxymethyl, phenyl, methylsulphinylmethyl, β-morpholinoethyl, dialkylaminoethyl, and dialkylaminocarbonyloxymethyl, 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 is a donor fluorescent moiety. Also provided are methods of use of the compounds of the general formulas.
• 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