噻苯咪唑-5-羟基 | 948-71-0

• 物质功能分类: 分析化学 - 标准品 - 法医和兽医标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 噻苯咪唑-5-羟基
• 中文别名: 5-羟基噻苯咪唑；5-羟基噻苯咪唑5-Hydroxythiabendazole
• 英文名称: 5-Hydroxythiabendazole
• 英文别名: 2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-ol
• CAS: 948-71-0
• 化学式: C₁₀H₇N₃OS
• 分子量: 217.251
• InChiKey: VNENJHUOPQAPAT-UHFFFAOYSA-N

物化性质

• 沸点：
  525.6±48.0 °C(Predicted)
• 密度：
  1.535±0.06 g/cm3(Predicted)
• 溶解度：
  DMF：20mg/mL； DMSO：20mg/mL； DMSO:PBS (pH 7.2) (1:20)：0.05 mg/ml；乙醇：0.5mg/mL
• 碰撞截面：
  137.2 Ų [M+H]+ [CCS Type: TW]

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90
• 氢给体数：
  2
• 氢受体数：
  4

ADMET

代谢

5-羟基噻菌灵是噻菌灵的一种已知人体代谢物。

5-hydroxythiabendazole is a known human metabolite of thiabendazole.

来源:NORMAN Suspect List Exchange

安全信息

• 危险等级：
  9
• 危险品标志：
  Xn,N
• 安全说明：
  S60,S61
• 危险类别码：
  R22,R50/53
• WGK Germany：
  3
• 海关编码：
  2934999090
• 包装等级：
  III
• 危险类别：
  9
• 危险标志：
  GHS07,GHS09
• 危险品运输编号：
  UN 3077
• 危险性描述：
  H302,H400
• 危险性防范说明：
  P273
• 储存条件：
  0-6°C

制备方法与用途

5-羟基噻二唑（5-OHTBZ）是噻二唑（HY-B0263）暴露的生物标志物。

反应信息

• 作为反应物：
  描述：

  噻苯咪唑-5-羟基 在 三乙胺三氧化硫 作用下， 以 吡啶 为溶剂， 生成 5-羟基噻苯咪唑硫酸盐
  参考文献：
  名称：

  噻苯达唑在绵羊中的代谢命运。

  摘要：

  DOI：

  10.1021/jm00334a002
• 作为产物：
  描述：

  噻菌灵 在 rabbit liver microsome 普罗地芬 、 还原型辅酶II(NADPH)四钠盐 作用下， 以 phosphate buffer 为溶剂， 生成 噻苯咪唑-5-羟基
  参考文献：
  名称：

  Major involvement of rabbit liver cytochrome P4501A in thiabendazole 5-hydroxylation

  摘要：

  1. Thiabendazole is a widely used food preservative and anthelmintic drug for breeding animal species. In order to characterize precisely the cytochrome P450 isozyme(s) involved in its major route of metabolism, a rapid and sensitive spectrofluorimetric method was developed for the simultaneous determination of thiabendazole and its main hepatic metabolite 5-hydroxythiabendazole.2. The kinetics of thiabendazole 5-hydroxylation were determined in microsomal preparations from control rabbits or animals previously treated with either P-naphthoflavone, isosafrole, phenobarbital, rifampicin or clofibrate. These treatments led to specific induction of CYP1A1, 1A2, 2B4, 3A6 and 4A1 respectively.3. By considering this panel of characterised microsomal preparations, only those obtained from BNF-treated rabbits exhibited an increase in thiabendazole 5-hydroxylase activity. Ethoxyresorufin O-deethylation in these microsomes was solely inhibited by thiabendazole. These argue for a specific involvement of the CYP1A subfamily.4. In the CYP1A subfamily, CYP1A2 appears to be responsible for basal 5-hydroxylation and further unidentified metabolism of thiabendazole in control livers. However, the major involvement of CYP1A1 is supported by the following characteristics of 5-hydroxylation of thiabendazole: (1) the correlation with CYP1A1 expression and (2) the inhibition by ellipticine and not by furafylline, inhibitors of CYP1A1 and CYP1A2 respectively.5. All these data demonstrated that the rabbit cytochrome P4501A is predominantly involved in thiabendazole 5-hydroxylation which has been suspected to be critical in terms of safety of the parent drug.

  DOI：

  10.3109/00498259609046747

文献信息

• 一种噻苯咪唑半抗原制备方法及其应用
  申请人：北京勤邦生物技术有限公司

  公开号：CN104341409B

  公开（公告）日：2017-11-28

  本发明公开了一种噻苯咪唑半抗原，相应的人工抗原和单克隆抗体，同时本发明也公开了所述噻苯咪唑半抗原，相应的人工抗原和单克隆抗体的制备方法及其应用。本发明提供的噻苯咪唑半抗原是式1所示产物，用式1所示产物与载体蛋白连接可以得到噻苯咪唑抗原。所述噻苯咪唑抗原可应用于制备噻苯咪唑特异性抗体。本发明制备方法简便可行、成本较低，半抗原产率较高。本发明的噻苯咪唑人工抗原，通过免疫动物可产生了针对噻苯咪唑的特异性抗体，可用于制备检测噻苯咪唑残留的酶联免疫检测试剂盒，具有简单、快速、处理样品量大、灵敏度高、特异性强等诸多优点。
• Use of thiabendazole and derivatives thereof for the therapy of neurological conditions
  申请人：Sygnis Bioscience GmbH & Co. KG

  公开号：EP2251010A1

  公开（公告）日：2010-11-17

  The present invention relates to the use of thiabendazole and derivatives thereof for the preparation of a pharmaceutical composition for treating and/or preventing a neuronal condition where there is a need of neuroprotection and/or neuroregeneration. The invention furthermore relates to the use of thiabendazole and derivatives thereof for the in vitro differentiation of neuronal stem cells and the use of such pre-treated cells for stem cell therapy of neurological conditions.

  本发明涉及使用噻苯咪唑及其衍生物制备药物组合物，用于治疗和/或预防需要神经保护和/或神经再生的神经元疾病。本发明还涉及噻苯咪唑及其衍生物在神经元干细胞体外分化中的应用，以及将这种预处理细胞用于神经系统疾病的干细胞治疗。
• PHOSPHOLIPID ETHER (PLE) CAR T CELL TUMOR TARGETING (CTCT) AGENTS
  申请人：Seattle Children's Hospital (dba Seattle Children's Research Institute)

  公开号：US20200087399A1

  公开（公告）日：2020-03-19

  Aspects of the invention described herein relate to synthetic compounds that are useful for targeting and labeling tumor cells so as to facilitate recognition by binding agents including Chimeric Antigen Receptor T cells (CAR T cells), which are administered to a subject by intravenous or locoregional administration. Several compositions and methods of making and using these compositions to treat or inhibit a disease in a subject are contemplated.
• SCREENING AND CONFIRMATION METHOD FOR VETERINARY DRUGS AND ADDITIVES IN ANIMAL-DERIVED FOOD
  申请人：Henan Institute of Veterinary Drug and Feed Control

  公开号：US20210063375A1

  公开（公告）日：2021-03-04

  A screening and confirmation method for veterinary drugs and additives in animal-derived food, including: preparation of standard working solution, pretreatment of samples to be tested, establishment of database, sample detection, compound screening and compound confirmation. The disclosure employs ultra high performance liquid chromatography-quadrupole/electrostatic field orbitrap high resolution mass spectrometry, and enables the simultaneous detection of 207 veterinary drugs and additives in animal-derived food within 22 min.
• DEVICE FOR EXTRACTING A MOLECULE OF INTEREST FROM A SAMPLE MATRIX, AND ASSOCIATED METHODS
  申请人：JP SCIENTIFIC LIMITED

  公开号：US20210156767A1

  公开（公告）日：2021-05-27

  A device for extracting a molecule of interest from a sample matrix. The device includes a support comprising a support surface; a sealing layer that at least partially coats the support surface; and an extractive phase coating applied to a portion of the sealing layer. The extractive phase coating is adapted to contain the molecule of interest. The sealing layer sufficiently coats the support surface to prevent the support surface from coming in contact with the sample matrix when the extractive phase coating is fully immersed in the sample matrix. Analytical screening devices and methods of manufacture are also disclosed.