2-Mercaptobenzimidazole (BioDeep_00000275463)

   


代谢物信息卡片


1H-BENZOIMIDAZOLE-2-THIOL

化学式: C7H6N2S (150.0251676)
中文名称: 1H-苯并咪唑-2-硫醇, 2-巯基苯并咪唑
谱图信息: 最多检出来源 Ailuropoda melanoleuca(viridiplantae) 3.39%

分子结构信息

SMILES: C1=CC=C2C(=C1)NC(=S)N2
InChI: InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2943; ORIGINAL_PRECURSOR_SCAN_NO 2941
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2960; ORIGINAL_PRECURSOR_SCAN_NO 2958
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2922; ORIGINAL_PRECURSOR_SCAN_NO 2920
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2940; ORIGINAL_PRECURSOR_SCAN_NO 2937
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2943; ORIGINAL_PRECURSOR_SCAN_NO 2938
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2936; ORIGINAL_PRECURSOR_SCAN_NO 2933
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6221; ORIGINAL_PRECURSOR_SCAN_NO 6219
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6223; ORIGINAL_PRECURSOR_SCAN_NO 6220
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6251; ORIGINAL_PRECURSOR_SCAN_NO 6248
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6263; ORIGINAL_PRECURSOR_SCAN_NO 6261
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6275; ORIGINAL_PRECURSOR_SCAN_NO 6271
CONFIDENCE standard compound; INTERNAL_ID 721; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6280; ORIGINAL_PRECURSOR_SCAN_NO 6276
CONFIDENCE standard compound; INTERNAL_ID 8205

同义名列表

2 个代谢物同义名

2-Mercaptobenzimidazole; 1H-BENZOIMIDAZOLE-2-THIOL



数据库引用编号

20 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

0 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Gagun Kamran, Hafiz Amir Ali Kharl, Muhammad Nasir Hayat Malik, Waqas Younis, Humaira Nadeem, Aymun Madni Zubair, Muhammad Atif Hayat Malik, Shah Jahan, Ishtiaq Ahmed, Ramla Shabbir, Asma Akram, Irfan Anjum, Muhammad Atif, Moosa Raza, Gull E Zahra Kamla. Novel mannich-based derivative of 2-mercaptobenzimidazole (AK7): a new candidate for the treatment of inflammatory arthritis owing to its NF-κB1 inhibitory potential. Naunyn-Schmiedeberg's archives of pharmacology. 2022 Dec; ?(?):. doi: 10.1007/s00210-022-02359-4. [PMID: 36512053]
  • Linda Jahn, Uta Hofmann, Jutta Ludwig-Müller. Indole-3-Acetic Acid Is Synthesized by the Endophyte Cyanodermella asteris via a Tryptophan-Dependent and -Independent Way and Mediates the Interaction with a Non-Host Plant. International journal of molecular sciences. 2021 Mar; 22(5):. doi: 10.3390/ijms22052651. [PMID: 33800748]
  • Bence Szilágyi, Péter Kovács, György G Ferenczy, Anita Rácz, Krisztina Németh, Júlia Visy, Pál Szabó, Janez Ilas, György T Balogh, Katalin Monostory, István Vincze, Tamás Tábi, Éva Szökő, György M Keserű. Discovery of isatin and 1H-indazol-3-ol derivatives as d-amino acid oxidase (DAAO) inhibitors. Bioorganic & medicinal chemistry. 2018 05; 26(8):1579-1587. doi: 10.1016/j.bmc.2018.02.004. [PMID: 29472125]
  • Eslam Pourbasheer, Farnaz Qasemi, Maryam Rouhi, Zhila Azari, Mohammad Reza Ganjali. Preconcentration and determination of 2-mercaptobenzimidazole by dispersive liquid-liquid microextraction and experimental design. Journal of separation science. 2017 Jun; 40(11):2467-2473. doi: 10.1002/jssc.201601453. [PMID: 28426916]
  • Yue Teng, Luyi Zou, Ming Huang, Wansong Zong. Characterization of the binding of 2-mercaptobenzimidazole to bovine serum albumin. Journal of molecular recognition : JMR. 2015 Apr; 28(4):232-8. doi: 10.1002/jmr.2437. [PMID: 25683240]
  • Hooshang Parham, Farzaneh Khoshnam. Solid phase extraction-preconcentration and high performance liquid chromatographic determination of 2-mercapto-(benzothiazole, benzoxazole and benzimidazole) using copper oxide nanoparticles. Talanta. 2013 Sep; 114(?):90-4. doi: 10.1016/j.talanta.2013.04.014. [PMID: 23953446]
  • Yuqin Li, Baoxiu Jia, Hao Wang, Nana Li, Gaopan Chen, Yuejuan Lin, Wenhua Gao. The interaction of 2-mercaptobenzimidazole with human serum albumin as determined by spectroscopy, atomic force microscopy and molecular modeling. Colloids and surfaces. B, Biointerfaces. 2013 Apr; 104(?):311-7. doi: 10.1016/j.colsurfb.2012.12.023. [PMID: 23333916]
  • J Vanden Bussche, S S Sterk, H F De Brabander, M H Blokland, Y Deceuninck, B Le Bizec, L Vanhaecke. Thyreostatic drugs, stability in bovine and porcine urine. Analytical and bioanalytical chemistry. 2012 Jul; 403(10):2973-82. doi: 10.1007/s00216-012-5739-7. [PMID: 22349321]
  • Madis Lõhmus, Kalle Kallaste, Bruno Le Bizec. Determination of thyreostats in urine and thyroid gland by ultra high performance liquid chromatography tandem mass spectrometry. Journal of chromatography. A. 2009 Nov; 1216(46):8080-9. doi: 10.1016/j.chroma.2009.04.005. [PMID: 19406410]
  • Noushin Rastkari, Mohammad Abdollahi, Reza Ahmadkhaniha, Abbas Shafiee. Syntheses and biological activities of benzimidazolo[2,1-b] benzo[e]thiazepin-5(10H)-ones. Archiv der Pharmazie. 2008 Jan; 341(1):49-54. doi: 10.1002/ardp.200700099. [PMID: 18072242]
  • István Szanyi, László Lujber, Imre Gerlinger, József Pytel, Miklós Bauer, András Csejtey, Eszter Szele, Katalin Gombos, István Kiss, Sergey Seredenin, Milada Yarkova, István Ember. In vivo effects of afobazole (2-mercaptobenzimidazole derivative) on the 7,12-dimethylbenz [alpha]anthracene-induced oncogene and suppressor gene expression. In vivo (Athens, Greece). 2007 Nov; 21(6):1059-63. doi: NULL. [PMID: 18210756]
  • Kazue Sakemi, Rieno Ito, Takashi Umemura, Yasuo Ohno, Mitsuhiro Tsuda. Comparative toxicokinetic/toxicodynamic study of rubber antioxidants, 2-mercaptobenzimidazole and its methyl substituted derivatives, by repeated oral administration in rats. Archives of toxicology. 2002 Dec; 76(12):682-91. doi: 10.1007/s00204-002-0392-0. [PMID: 12451444]
  • C Retna Raj, F Kitamura, Takeo Ohsaka. Square wave voltammetric sensing of uric acid using the self-assembly of mercaptobenzimidazole. The Analyst. 2002 Sep; 127(9):1155-8. doi: 10.1039/b206703j. [PMID: 12375835]
  • K Sakemi, M Usami, K Mitsunaga, Y Ohno, M Tsuda. Comparative toxicokinetic study of rubber antioxidants, 2-mercaptobenzimidazole and 2-mercaptomethylbenzimidazole, by single oral administration in rats. The Journal of toxicological sciences. 1999 Dec; 24(5):399-405. doi: 10.2131/jts.24.5_399. [PMID: 10656161]
  • Y Kawasaki, T Umemura, M Saito, J Momma, Y Matsushima, H Sekiguchi, M Matsumoto, K Sakemi, K Isama, T Inoue, Y Kurokawa, M Tsuda. Toxicity study of a rubber antioxidant, 2-mercaptobenzimidazole, by repeated oral administration to rats. The Journal of toxicological sciences. 1998 Feb; 23(1):53-68. doi: 10.2131/jts.23.53. [PMID: 9513921]
  • T Yamano, T Noda, M Shimizu, S Morita. The adverse effects of oral 2-mercaptobenzimidazole on pregnant rats and their fetuses. Fundamental and applied toxicology : official journal of the Society of Toxicology. 1995 May; 25(2):218-23. doi: 10.1006/faat.1995.1057. [PMID: 7665005]
  • D C Norford, D J Meuten, J M Cullen, J J Collins. Pituitary and thyroid gland lesions induced by 2-mercaptobenzimidazole (2-MBI) inhalation in male Fischer-344 rats. Toxicologic pathology. 1993 Sep; 21(5):456-64. doi: 10.1177/019262339302100505. [PMID: 8115823]
  • S M El Dareer, J R Kalin, K F Tillery, D L Hill. Disposition of 2-mercaptobenzimidazole in rats dosed orally or intravenously. Journal of toxicology and environmental health. 1984; 14(4):595-604. doi: 10.1080/15287398409530608. [PMID: 6512884]