Atrazine Mercapturate | CAS#138722-96-0 | Herbicide

Atrazine Mercapturate
featured

WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 112152

CAS#: 138722-96-0

Description: Atrazine mercapturate has been reported to cause cancer in certain laboratory animals, have diverse effects on the reproductive system in animals and humans, and disrupt the normal function of the endocrine system. Atrazine has become one of the most popular applied triazine herbicides in the world due to its high herbicidal efficiency and low price.

Chemical Structure

Atrazine Mercapturate

CAS# 138722-96-0

Instruction

Theoretical Analysis

MedKoo Cat#: 112152
Name: Atrazine Mercapturate
CAS#: 138722-96-0
Chemical Formula: C13H22N6O3S
Exact Mass: 342.15
Molecular Weight: 342.420
Elemental Analysis: C, 45.60; H, 6.48; N, 24.54; O, 14.02; S, 9.36

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 500	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: Atrazine Mercapturate; ATR Mercapturate

IUPAC/Chemical Name: N-acetyl-S-(4-(ethylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl)-L-cysteine

InChi Key: JYBXBVCDDNBLJW-VIFPVBQESA-N

InChi Code: InChI=1S/C13H22N6O3S/c1-5-14-11-17-12(15-7(2)3)19-13(18-11)23-6-9(10(21)22)16-8(4)20/h7,9H,5-6H2,1-4H3,(H,16,20)(H,21,22)(H2,14,15,17,18,19)/t9-/m0/s1

SMILES Code: CCNC1=NC(NC(C)C)=NC(SC[C@@H](C(O)=O)NC(C)=O)=N1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 342.42 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:
In vitro protocol:
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.

Mass

Concentration

Volume

M. Wt* g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

Dilution Calculator

Calculate the dilution required to prepare a stock solution.

Concentration 1

Volume 1

Concentration 2

Volume 2

1: Mendaš G, Vuletić M, Galić N, Drevenkar V. Urinary metabolites as biomarkers of human exposure to atrazine: atrazine mercapturate in agricultural workers. Toxicol Lett. 2012 Apr 25;210(2):174-81. doi: 10.1016/j.toxlet.2011.11.023. Epub 2011 Nov 30. PMID: 22155356.

2: Koivunen ME, Dettmer K, Vermeulen R, Bakke B, Gee SJ, Hammock BD. Improved methods for urinary atrazine mercapturate analysis--assessment of an enzyme- linked immunosorbent assay (ELISA) and a novel liquid chromatography-mass spectrometry (LC-MS) method utilizing online solid phase extraction (SPE). Anal Chim Acta. 2006 Jul 21;572(2):180-9. doi: 10.1016/j.aca.2006.05.037. Epub 2006 May 16. PMID: 17723476.

3: Ross MK, Filipov NM. Determination of atrazine and its metabolites in mouse urine and plasma by LC-MS analysis. Anal Biochem. 2006 Apr 15;351(2):161-73. doi: 10.1016/j.ab.2006.01.050. Epub 2006 Feb 20. PMID: 16527233.

4: Namulanda G, Taylor E, Maisonet M, Boyd Barr D, Flanders WD, Olson D, Qualters JR, Vena J, Northstone K, Naeher L. In utero exposure to atrazine analytes and early menarche in the Avon Longitudinal Study of Parents and Children Cohort. Environ Res. 2017 Jul;156:420-425. doi: 10.1016/j.envres.2017.04.004. Epub 2017 Apr 12. PMID: 28410519; PMCID: PMC5679269.

5: Panuwet P, Nguyen JV, Kuklenyik P, Udunka SO, Needham LL, Barr DB. Quantification of atrazine and its metabolites in urine by on-line solid-phase extraction-high-performance liquid chromatography-tandem mass spectrometry. Anal Bioanal Chem. 2008 Jul;391(5):1931-9. doi: 10.1007/s00216-008-2102-0. Epub 2008 May 3. PMID: 18454284.

6: Perry M, Christiani D, Dagenhart D, Tortorelli J, Singzoni B. Urinary biomarkers of atrazine exposure among farm pesticide applicators. Ann Epidemiol. 2000 Oct 1;10(7):479. doi: 10.1016/s1047-2797(00)00150-2. PMID: 11018424.

7: Nguyen JV, Olsson AO, Bravo R, Needham LL, Barr DB. Quantification of atrazine, phenylurea, and sulfonylurea herbicide metabolites in urine by high- performance liquid chromatography-tandem mass spectrometry. J Anal Toxicol. 2007 May;31(4):181-6. doi: 10.1093/jat/31.4.181. PMID: 17555640.

8: Bakke B, De Roos AJ, Barr DB, Stewart PA, Blair A, Freeman LB, Lynch CF, Allen RH, Alavanja MC, Vermeulen R. Exposure to atrazine and selected non- persistent pesticides among corn farmers during a growing season. J Expo Sci Environ Epidemiol. 2009 Sep;19(6):544-54. doi: 10.1038/jes.2008.53. Epub 2008 Dec 3. PMID: 19052531; PMCID: PMC3048843.

9: Chevrier C, Limon G, Monfort C, Rouget F, Garlantézec R, Petit C, Durand G, Cordier S. Urinary biomarkers of prenatal atrazine exposure and adverse birth outcomes in the PELAGIE birth cohort. Environ Health Perspect. 2011 Jul;119(7):1034-41. doi: 10.1289/ehp.1002775. Epub 2011 Mar 2. PMID: 21367690; PMCID: PMC3222984.

10: Lerro CC, Beane Freeman LE, Portengen L, Kang D, Lee K, Blair A, Lynch CF, Bakke B, De Roos AJ, Vermeulen RC. A longitudinal study of atrazine and 2,4-D exposure and oxidative stress markers among iowa corn farmers. Environ Mol Mutagen. 2017 Jan;58(1):30-38. doi: 10.1002/em.22069. PMID: 28116766; PMCID: PMC5763550.

11: Curwin BD, Hein MJ, Barr DB, Striley C. Comparison of immunoassay and HPLC- MS/MS used to measure urinary metabolites of atrazine, metolachlor, and chlorpyrifos from farmers and non-farmers in Iowa. J Expo Sci Environ Epidemiol. 2010 Mar;20(2):205-12. doi: 10.1038/jes.2009.15. Epub 2009 Mar 11. PMID: 19277069.

12: Panuwet P, Restrepo PA, Magsumbol M, Jung KY, Montesano MA, Needham LL, Barr DB. An improved high-performance liquid chromatography-tandem mass spectrometric method to measure atrazine and its metabolites in human urine. J Chromatogr B Analyt Technol Biomed Life Sci. 2010 Apr 15;878(13-14):957-62. doi: 10.1016/j.jchromb.2010.02.025. Epub 2010 Mar 1. PMID: 20299293.

13: Jaeger LL, Jones AD, Hammock BD. Development of an enzyme-linked immunosorbent assay for atrazine mercapturic acid in human urine. Chem Res Toxicol. 1998 Apr;11(4):342-52. doi: 10.1021/tx9701844. PMID: 9548805.

14: Curwin BD, Hein MJ, Sanderson WT, Barr DB, Heederik D, Reynolds SJ, Ward EM, Alavanja MC. Urinary and hand wipe pesticide levels among farmers and nonfarmers in Iowa. J Expo Anal Environ Epidemiol. 2005 Nov;15(6):500-8. doi: 10.1038/sj.jea.7500428. PMID: 15841098.

15: MacIntosh DL, Needham LL, Hammerstrom KA, Ryan PB. A longitudinal investigation of selected pesticide metabolites in urine. J Expo Anal Environ Epidemiol. 1999 Sep-Oct;9(5):494-501. doi: 10.1038/sj.jea.7500045. PMID: 10554151.

16: Hu YA, Barr DB, Akland G, Melnyk L, Needham L, Pellizzari ED, Raymer JH, Roberds JM. Collecting urine samples from young children using cotton gauze for pesticide studies. J Expo Anal Environ Epidemiol. 2000 Nov-Dec;10(6 Pt 2):703-9. doi: 10.1038/sj.jea.7500134. PMID: 11138662.

17: Norrgran J, Bravo R, Bishop AM, Restrepo P, Whitehead RD, Needham LL, Barr DB. Quantification of six herbicide metabolites in human urine. J Chromatogr B Analyt Technol Biomed Life Sci. 2006 Jan 18;830(2):185-95. doi: 10.1016/j.jchromb.2005.10.041. Epub 2005 Nov 16. PMID: 16297668.

18: Nichkova M, Dosev D, Davies AE, Gee SJ, Kennedy IM, Hammock BD. Quantum Dots as Reporters in Multiplexed Immunoassays for Biomarkers of Exposure to Agrochemicals. Anal Lett. 2007 Jan;40(7):1423-1433. doi: 10.1080/00032710701327088. PMID: 19079795; PMCID: PMC2600528.

Your view history

Atrazine Mercapturate featured