头孢曲松钠杂质1 | 1214622-93-1

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 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
• 中文名称: 头孢曲松钠杂质1
• 英文名称: 7β-Aminocephalosporanic acid
• 英文别名: 7β-Aminocephalosporansaeure；(6R)-3-acetoxymethyl-7t-amino-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid；(7R)-3-(acetyloxymethyl)-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• CAS: 1214622-93-1
• 化学式: C₁₀H₁₂N₂O₅S
• 分子量: 272.282
• InChiKey: HSHGZXNAXBPPDL-VJSCVCEBSA-N

物化性质

• 沸点：
  560.6±50.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -4
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  135
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  头孢曲松钠杂质1 以 四氢呋喃 为溶剂， 生成 (6R)-3-acetoxymethyl-7t-amino-7c-methoxy-8-oxo-(6rH)-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
  参考文献：
  名称：

  7β-（对硝基苄氧基羧酰胺基）头孢烷酸的甲氧基化反应合成7α-甲氧基-7β-酰氨基头孢烷酸

  摘要：

  DOI：

  10.1016/s0040-4039(01)82475-8

文献信息

• [EN] CEPHALOSPORIN CIPROFLOXACIN HYBRID COMPOUNDS<br/>[FR] COMPOSÉS HYBRIDES DE CÉPHALOSPORINE CIPROFLOXACINE
  申请人：IMPERIAL COLLEGE SCI TECH & MEDICINE

  公开号：WO2020099858A1

  公开（公告）日：2020-05-22

  A compound of formula (Ia) and related aspects.

  化合物的化学式（Ia）及相关方面。
• Optically-Detectable Enzyme Substrates and Their Method of Use
  申请人：Life Technologies Corporation

  公开号：US20160139135A1

  公开（公告）日：2016-05-19

  The present invention relates to compounds that are substrates for an enzyme, and upon reaction with the enzyme provide a detectable response, such as an optically detectable response. In particular, the compounds have utility in detecting the presence of a β-lactamase in a sample. In addition to the compounds, methods are disclosed for analyzing a sample for the presence of a β-lactmase, for example, as an indicator of expression of a nucleic acid sequence including a sequence coding for a β-lactmase. Kits are disclosed that include the disclosed compounds and additional components, for example, cells, antibodies, a β-lactmase or instructions for using the components in an assay.

  本发明涉及一种酶底物化合物，与酶反应后产生可检测的响应，例如光学可检测的响应。具体而言，这些化合物在检测样品中β-内酰胺酶的存在方面具有实用性。除了这些化合物外，还公开了用于分析样品中β-内酰胺酶存在的方法，例如，作为表达包括编码β-内酰胺酶序列的核酸序列的指示器。还公开了包括这些化合物和额外组分的试剂盒，例如细胞、抗体、β-内酰胺酶或使用这些组分进行检测的说明书。
• [EN] IMPROVED PROCESS FOR THE PREPARATION OF CEFEPIME INTERMEDIATE<br/>[FR] MÉTHODE PERFECTIONNÉE DE PRÉPARATION D'INTERMÉDIAIRE DE CÉFÉPIME.
  申请人：ORCHID CHEMICALS & PHARM LTD

  公开号：WO2009004463A1

  公开（公告）日：2009-01-08

  The present invention provides a process for the preparation of the compound of formula (I) wherein HX represents HI, HCl, H2SO4 and the like. The compound of formula (I) is an important intermediate in the preparation of Cefepime.

  本发明提供了一种制备化合物的方法，该化合物的化学式为（I），其中HX代表HI、HCl、H2SO4等。化合物的化学式（I）是头孢哌酮制备中的重要中间体。
• Process for preparing cephalosporins with salified intermediate
  申请人：Monguzzi Riccardo

  公开号：US20050119244A1

  公开（公告）日：2005-06-02

  Cephalosporins may be conveniently prepared by a process in which 7-ACA is silylated, acylated, desilylated and then salified to give an intermediate which is eventually cyclized with thiourea.

  头孢菌素可以通过一种方法方便地制备，其中7-ACA被硅化，酰化，去除硅烷基，然后被盐化，以产生中间体，最终与硫脲环化。
• Synthesis and antibacterial activities of new (.alpha.-hydrazinobenzyl)cephalosporins
  作者：A. Balsamo、B. Macchia、F. Macchia、A. Rossello、R. Giani、G. Pifferi、M. Pinza、G. Broccali

  DOI：10.1021/jm00365a019

  日期：1983.11

  Some (alpha-hydrazinobenzyl)cephalosporins, I (R = Me, CH2OAc, Cl) and II (R = Me, CH2OAc), structurally related (formula; see text) to cephalexin, cephaloglycin, and cefaclor have been prepared and evaluated in vitro for their antimicrobial activity. The synthesis involves the condensation of the chloride hydrochloride III (R = H or Me) with the 7-aminocephem derivatives IV. The hydrazino compound

  已经制备了一些（α-肼基苄基）头孢菌素I（R = Me，CH2OAc，Cl）和II（R = Me，CH2OAc），它们与头孢氨苄，头孢甘油和头孢克洛具有结构相关性（配方;见正文）因其抗菌活性。合成过程包括将氯化氢盐酸盐III（R = H或Me）与7-氨基头孢衍生物IV缩合。头孢克洛类似物肼化合物I（R = Cl），是该系列中活性最高的化合物。