5-Chloro-2-methyl-4-isothiazolin-3-one (BioDeep_00000174681)
human metabolite blood metabolite
代谢物信息卡片
5-Chloro-2-methyl-4-isothiazolin-3-one hydrochloride
化学式: C4H4ClNOS (148.9702124)
中文名称: 异噻唑啉酮 CMI/MI
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CN1C(=O)C=C(S1)Cl
InChI: InChI=1S/C4H4ClNOS/c1-6-4(7)2-3(5)8-6/h2H,1H3
描述信息
D000890 - Anti-Infective Agents
D004202 - Disinfectants
同义名列表
12 个代谢物同义名
5-Chloro-2-methyl-4-isothiazolin-3-one hydrochloride; 5-chloro-2-methyl-2,3-dihydro-1,2-thiazol-3-one; 2,3-Dihydro-2-methyl-3-oxo-5-chloroisothiazole; 5-Chloro-2-methyl-4-isothiazolin-3-one; 5-Chloro-2-methyl-2H-isothiazol-3-one; 5-Chloro-2-methylisothiazolin-3-one; 5-Chloro-N-methylisothiazolone; Methylchloro-isothiazolinone; Methylchloroisothiazolinone; 5243-K-CG; CMIT; MCI
数据库引用编号
8 个数据库交叉引用编号
- ChEBI: CHEBI:53621
- PubChem: 33344
- HMDB: HMDB0246766
- DrugBank: DB14197
- ChEMBL: CHEMBL1738962
- Wikipedia: Methylchloroisothiazolinone
- chemspider: 30800
- CAS: 26172-55-4
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)
1 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
- Thomas Schettgen, J Bertram, T Kraus. New data on the metabolism of chloromethylisothiazolinone and methylisothiazolinone in human volunteers after oral dosage: excretion kinetics of a urinary mercapturic acid metabolite ('M-12').
Archives of toxicology.
2021 08; 95(8):2659-2665. doi:
10.1007/s00204-021-03100-5. [PMID: 34152453] - Fátima Tous-Romero, Pablo L Ortiz Romero, Javier Ortiz de Frutos. Usefulness of Patch Testing With Patient's Own Products in the Diagnosis of Allergic Contact Dermatitis.
Dermatitis : contact, atopic, occupational, drug.
2021 Jan; 32(1):38-41. doi:
10.1097/der.0000000000000654. [PMID: 33449479] - Lauren Claire Hollins, Katherine Hallock, Max Disse, Christopher Chu, Rosemary Szollas, James Marks, Alexandra Flamm. Occupationally Induced Allergic Contact Dermatitis to Methylchloroisothiazolinone/Methylisothiazolinone Among Water Bottle Plant Workers.
Dermatitis : contact, atopic, occupational, drug.
2020 Jul; 31(4):265-267. doi:
10.1097/der.0000000000000527. [PMID: 32049715] - Aline Murawski, Maria I H Schmied-Tobies, Enrico Rucic, Thomas Schettgen, Jens Bertram, André Conrad, Marike Kolossa-Gehring. The methylisothiazolinone and methylchloroisothiazolinone metabolite N-methylmalonamic acid (NMMA) in urine of children and adolescents in Germany - Human biomonitoring results of the German Environmental Survey 2014-2017 (GerES V).
International journal of hygiene and environmental health.
2020 06; 227(?):113511. doi:
10.1016/j.ijheh.2020.113511. [PMID: 32174480] - Thomas Schettgen, Maria Rüther, Till Weber, Thomas Kraus, Marike Kolossa-Gehring. N-methylmalonamic acid (NMMA) as metabolite of methylisothiazolinone and methylchloroisothiazolinone in 24-h urine samples of the German Environmental Specimen Bank from 2000 to 2017 - exposure and time trends.
Chemosphere.
2020 May; 246(?):125743. doi:
10.1016/j.chemosphere.2019.125743. [PMID: 31927365] - Tobie D Lee, Olivia W Lee, Kyle R Brimacombe, Lu Chen, Rajarshi Guha, Sabrina Lusvarghi, Bethilehem G Tebase, Carleen Klumpp-Thomas, Robert W Robey, Suresh V Ambudkar, Min Shen, Michael M Gottesman, Matthew D Hall. A High-Throughput Screen of a Library of Therapeutics Identifies Cytotoxic Substrates of P-glycoprotein.
Molecular pharmacology.
2019 11; 96(5):629-640. doi:
10.1124/mol.119.115964. [PMID: 31515284] - Farzad Alinaghi, Niels H Bennike, Alexander Egeberg, Jacob P Thyssen, Jeanne D Johansen. Prevalence of contact allergy in the general population: A systematic review and meta-analysis.
Contact dermatitis.
2019 Feb; 80(2):77-85. doi:
10.1111/cod.13119. [PMID: 30370565] - T Schettgen, T Kraus. Urinary excretion kinetics of the metabolite N-methylmalonamic acid (NMMA) after oral dosage of chloromethylisothiazolinone and methylisothiazolinone in human volunteers.
Archives of toxicology.
2017 Dec; 91(12):3835-3841. doi:
10.1007/s00204-017-2051-5. [PMID: 28929222] - Kotryna Linauskienė, Laura Malinauskienė, Audra Blažienė. Time trends of contact allergy to the European baseline series in Lithuania.
Contact dermatitis.
2017 Jun; 76(6):350-356. doi:
10.1111/cod.12726. [PMID: 27917496] - Erika Parkinson, Pete Boyd, Maja Aleksic, Richard Cubberley, David O'Connor, Paul Skipp. Stable isotope labeling method for the investigation of protein haptenation by electrophilic skin sensitizers.
Toxicological sciences : an official journal of the Society of Toxicology.
2014 Nov; 142(1):239-49. doi:
10.1093/toxsci/kfu168. [PMID: 25145658] - Guillaume Pelletier, Victor E Valli, Marc Rigden, Raymond Poon. Effects of a 28-day oral exposure to a 5-chloro-2-methyl-4-isothiazolin-3-one and 2-methyl-4-isothiazolin-3-one biocide formulation in Sprague-Dawley rats.
Drug and chemical toxicology.
2014 Apr; 37(2):149-55. doi:
10.3109/01480545.2013.834353. [PMID: 24111717] - Ana Rita Travassos, Lieve Claes, Lies Boey, Jacques Drieghe, An Goossens. Non-fragrance allergens in specific cosmetic products.
Contact dermatitis.
2011 Nov; 65(5):276-85. doi:
10.1111/j.1600-0536.2011.01968.x. [PMID: 21951136] - Marléne Isaksson, Magnus Bruze, Birgitta Gruvberger. Cross-reactivity between methylchloroisothiazolinone/methylisothiazolinone, methylisothiazolinone, and other isothiazolinones in workers at a plant producing binders for paints and glues.
Contact dermatitis.
2008 Jan; 58(1):60-2. doi:
10.1111/j.1600-0536.2007.01168.x. [PMID: 18154567] - Astrid Rafoth, Sabine Gabriel, Frank Sacher, Heinz-Jürgen Brauch. Analysis of isothiazolinones in environmental waters by gas chromatography-mass spectrometry.
Journal of chromatography. A.
2007 Sep; 1164(1-2):74-81. doi:
10.1016/j.chroma.2007.07.040. [PMID: 17681349] - Y Tanji, T Nishihara, K Miyanaga. Iron dependent degradation of an isothiazolone biocide (5-chloro-2-methyl-4-isothiazolin-3-one).
Biofouling.
2007; 23(1-2):73-7. doi:
10.1080/08927010601149729. [PMID: 17453731] - Rubén Alvarez-Sánchez, Maja Divkovic, David Basketter, Camilla Pease, Maria Panico, Anne Dell, Howard Morris, Jean-Pierre Lepoittevin. Effect of glutathione on the covalent binding of the 13C-labeled skin sensitizer 5-chloro-2-methylisothiazol-3-one to human serum albumin: identification of adducts by nuclear magnetic resonance, matrix-assisted laser desorption/ionization mass spectrometry, and nanoelectrospray tandem mass spectrometry.
Chemical research in toxicology.
2004 Sep; 17(9):1280-8. doi:
10.1021/tx049935+. [PMID: 15377163] - V Kujala, A Niinimäki. Occupational induction of hypersensitivity after an accidental exposure to chloromethylisothiazolinone and methylisothiazolinone (CMI/MI) in an industrial worker.
Occupational medicine (Oxford, England).
1999 Jan; 49(1):51-3. doi:
10.1093/occmed/49.1.51. [PMID: 10451588] - B Gruvberger, M Bruze. Can glutathione-containing emollients inactivate methylchloroisothiazolinone/methylisothiazolinone?.
Contact dermatitis.
1998 May; 38(5):261-5. doi:
10.1111/j.1600-0536.1998.tb05740.x. [PMID: 9667443] - V S Brözel, T E Cloete. Resistance of Pseudomonas aeruginosa to isothiazolone.
The Journal of applied bacteriology.
1994 Jun; 76(6):576-82. doi:
10.1111/j.1365-2672.1994.tb01655.x. [PMID: 8027006] - L Giuliani, G Carmignani, E Belgrano, P Puppo. Transcatheter arterial embolization in urological tumors: the use of isobutyl-2-cyanoacrylate.
The Journal of urology.
1979 May; 121(5):630-4. doi:
10.1016/s0022-5347(17)56913-x. [PMID: 439260] - A W Mondorf. [Evidence of urinary tubular proteins in inflammatory and toxic kidney damage].
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