benzyl (6R,7R)-3-(chloromethyl)-5,8-dioxo-7-[(2-phenylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: benzyl (6R,7R)-3-(chloromethyl)-5,8-dioxo-7-[(2-phenylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 英文别名: benzyl (6R,7R)-3-(chloromethyl)-5,8-dioxo-7-[(2-phenylacetyl)amino]-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• 化学式: C₂₃H₂₁ClN₂O₅S
• 分子量: 472.9
• InChiKey: JKSWMZGVSXGGJJ-KVLXFLBJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  112
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• METHODS AND COMPOUNDS FOR DETECTING BETA-LACTAMASE ACTIVITY
  申请人：Nanyang Technological University

  公开号：US20140322739A1

  公开（公告）日：2014-10-30

  The present invention relates to compounds for and a method of detecting beta-lactamase activity in a sample. The sample is contacted with a nanoparticulate tag. The nanoparticulate tag comprises a metal or a combination of metals, or it comprises a nanotube of a metal, boron nitride and/or carbon. The respective metal is capable of forming one of a covalent bond, a coordinative bond and a non-covalent interaction with a thio or a seleno group. The sample is contacted with a compound of one of general formulas (I)-(III) and (VII)-(IX). At least one beta-lactam moiety of the compound is cleaved by the beta-lactamase activity in the sample. As a result a cleavage moiety Z-A-Z, Z-A-Z—R 15 , Z-A-Z—R 16 , Z-A-Z—R 17 , Z-A-Z—R 18 or Z-G-N(R 8 )R 9 is released that is immobilized on the surface of the nanoparticulate tag by a covalent bond via a Z atom. The presence of beta-lactamase activity is determined based on the presence of the cleavage moiety immobilized onto the surface of the nanoparticulate tag.

  本发明涉及一种用于检测样品中β-内酰胺酶活性的化合物及方法。将样品与纳米颗粒标记接触。纳米颗粒标记包括金属或金属组合，或者包括金属、氮化硼和/或碳的纳米管。相应的金属能够与硫或硒基团形成共价键、配位键和非共价相互作用之一。将样品与一般式（I）-（III）和（VII）-（IX）中的一种化合物接触。化合物中的至少一个β-内酰胺基团被样品中的β-内酰胺酶活性裂解。结果，通过Z原子通过共价键固定在纳米颗粒标记表面上释放出一个裂解基团Z-A-Z、Z-A-Z—R15、Z-A-Z—R16、Z-A-Z—R17、Z-A-Z—R18或Z-G-N（R8）R9。基于纳米颗粒标记表面上固定的裂解基团的存在确定β-内酰胺酶活性的存在。
• US8802387B2
  申请人：——

  公开号：US8802387B2

  公开（公告）日：2014-08-12
• US9476087B2
  申请人：——

  公开号：US9476087B2

  公开（公告）日：2016-10-25