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MedKoo Cat#: 525963 | Name: Propachlor
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Description:

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

Propachlor is a specific ALDH1A1 inhibitor. Propachlor is a widely used acylaniline herbicide for weeding annual gramineous and dicot plants in farmland.

Chemical Structure

Propachlor
Propachlor
CAS#1918-16-7

Theoretical Analysis

MedKoo Cat#: 525963

Name: Propachlor

CAS#: 1918-16-7

Chemical Formula: C11H14ClNO

Exact Mass: 211.0764

Molecular Weight: 211.69

Elemental Analysis: C, 62.41; H, 6.67; Cl, 16.75; N, 6.62; O, 7.56

Price and Availability

Size Price Availability Quantity
250mg USD 225.00
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Related CAS #
No Data
Synonym
Acilid, AI3-51503, Bexton, Bexton 4L, CP 31393, Kartex A, Nitacid, Niticid, Prolex, Propachlor, Satecid
IUPAC/Chemical Name
2-Chloro-N-phenyl-N-propan-2-ylacetamide
InChi Key
MFOUDYKPLGXPGO-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
SMILES Code
O=C(N(C1=CC=CC=C1)C(C)C)CCl
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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

Preparing Stock Solutions

The following data is based on the product molecular weight 211.69 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.

Recalculate based on batch purity %
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
1: Quanrud GM, Lyu Z, Balamurugan SV, Canizal C, Wu HT, Genereux JC. Cellular Exposure to Chloroacetanilide Herbicides Induces Distinct Protein Destabilization Profiles. ACS Chem Biol. 2023 Jul 21;18(7):1661-1676. doi: 10.1021/acschembio.3c00338. Epub 2023 Jul 10. PMID: 37427419; PMCID: PMC10367052. 2: Tresnakova N, Impellitteri F, Famulari S, Porretti M, Filice M, Caferro A, Savoca S, D Iglio C, Imbrogno S, Albergamo A, Vazzana I, Stara A, Di Bella G, Velisek J, Faggio C. Fitness assessment of Mytilus galloprovincialis Lamarck, 1819 after exposure to herbicide metabolite propachlor ESA. Environ Pollut. 2023 Aug 15;331(Pt 1):121878. doi: 10.1016/j.envpol.2023.121878. Epub 2023 May 25. PMID: 37236591. 3: Kocak A, LaVena Miles A. The feasibility of using micro concentrated multiple reflection ATR FTIR accessory in pesticide analysis. J Environ Sci Health B. 2023;58(5):379-388. doi: 10.1080/03601234.2023.2208995. Epub 2023 May 7. PMID: 37150899. 4: Yao XF, Zhang N, Liu J, Yang H. Transport and Environmental Risks of Propachlor Within the Soil-Plant-Water Phase as Affected by Dissolved Organic Matter as a Nonionic Surfactant. ACS Omega. 2023 Jan 24;8(5):4694-4702. doi: 10.1021/acsomega.2c06561. PMID: 36777582; PMCID: PMC9909819. 5: Yang Y, Ghatge S, Ko Y, Yoon Y, Ahn JH, Kim JJ, Hur HG. Non-specific degradation of chloroacetanilide herbicides by glucose oxidase supported Bio- Fenton reaction. Chemosphere. 2022 Apr;292:133417. doi: 10.1016/j.chemosphere.2021.133417. Epub 2021 Dec 23. PMID: 34954194. 6: Yıldız E, Çabuk H. Dispersive liquid-liquid microextraction method combined with sugaring-out homogeneous liquid-liquid extraction for the determination of some pesticides in molasses samples. J Sep Sci. 2021 Nov;44(22):4151-4166. doi: 10.1002/jssc.202100551. Epub 2021 Sep 22. PMID: 34510755. 7: Cuesta SA, Torres FJ, Rincón L, Paz JL, Márquez EA, Mora JR. Effect of the Nucleophile's Nature on Chloroacetanilide Herbicides Cleavage Reaction Mechanism. A DFT Study. Int J Mol Sci. 2021 Jun 26;22(13):6876. doi: 10.3390/ijms22136876. PMID: 34206795; PMCID: PMC8268095. 8: Yang L, Zhang Z. Degradation of six typical pesticides in water by VUV/UV/chlorine process: Evaluation of the synergistic effect. Water Res. 2019 Sep 15;161:439-447. doi: 10.1016/j.watres.2019.06.021. Epub 2019 Jun 11. PMID: 31228663. 9: Mora JR, Cervantes C, Marquez E. New Insight into the Chloroacetanilide Herbicide Degradation Mechanism through a Nucleophilic Attack of Hydrogen Sulfide. Int J Mol Sci. 2018 Sep 21;19(10):2864. doi: 10.3390/ijms19102864. PMID: 30241401; PMCID: PMC6213056. 10: Griffith CM, Morgan MA, Dinges MM, Mathon C, Larive CK. Metabolic Profiling of Chloroacetanilide Herbicides in Earthworm Coelomic Fluid Using 1H NMR and GC-MS. J Proteome Res. 2018 Aug 3;17(8):2611-2622. doi: 10.1021/acs.jproteome.8b00081. Epub 2018 Jul 16. PMID: 29939029. 11: López A, Dualde P, Yusà V, Coscollà C. Retrospective analysis of pesticide metabolites in urine using liquid chromatography coupled to high-resolution mass spectrometry. Talanta. 2016 Nov 1;160:547-555. doi: 10.1016/j.talanta.2016.07.065. Epub 2016 Jul 31. PMID: 27591649. 12: Gençten M, Özcan A. A detailed investigation on electro-Fenton treatment of propachlor: Mineralization kinetic and degradation intermediates. Chemosphere. 2015 Oct;136:167-73. doi: 10.1016/j.chemosphere.2015.04.101. Epub 2015 May 15. PMID: 25989604. 13: Helbling DE, Johnson DR, Lee TK, Scheidegger A, Fenner K. A framework for establishing predictive relationships between specific bacterial 16S rRNA sequence abundances and biotransformation rates. Water Res. 2015 Mar 1;70:471-84. doi: 10.1016/j.watres.2014.12.013. Epub 2014 Dec 16. PMID: 25594727. 14: Qu JR, Zhang JJ, Gao YF, Yang H. Synthesis and utilisation of molecular imprinting polymer for clean-up of propachlor in food and environmental media. Food Chem. 2012 Dec 1;135(3):1148-56. doi: 10.1016/j.foodchem.2012.05.069. Epub 2012 May 24. PMID: 22953837. 15: Tai S, Sun Y, Liu N, Ding B, Hsia E, Bhuta S, Thor RK, Damoiseaux R, Liang C, Huang J. Combination of Rad001 (everolimus) and propachlor synergistically induces apoptosis through enhanced autophagy in prostate cancer cells. Mol Cancer Ther. 2012 Jun;11(6):1320-31. doi: 10.1158/1535-7163.MCT-11-0954. Epub 2012 Apr 5. PMID: 22491797; PMCID: PMC3374015. 16: Liu CS, Shih K, Sun CX, Wang F. Oxidative degradation of propachlor by ferrous and copper ion activated persulfate. Sci Total Environ. 2012 Feb 1;416:507-12. doi: 10.1016/j.scitotenv.2011.12.004. Epub 2012 Jan 5. PMID: 22226398. 17: Liu CS, Shih K, Wei L, Wang F, Li FB. Kinetics and mechanism of propachlor reductive transformation through nucleophilic substitution by dithionite. Chemosphere. 2011 Nov;85(9):1438-43. doi: 10.1016/j.chemosphere.2011.08.023. Epub 2011 Sep 3. PMID: 21893332. 18: Borrás E, Sánchez P, Muñoz A, Tortajada-Genaro LA. Development of a gas chromatography-mass spectrometry method for the determination of pesticides in gaseous and particulate phases in the atmosphere. Anal Chim Acta. 2011 Aug 5;699(1):57-65. doi: 10.1016/j.aca.2011.05.009. Epub 2011 May 14. PMID: 21704758. 19: Cheng X, Shi H, Adams CD, Timmons T, Ma Y. Simultaneous screening of herbicide degradation byproducts in water treatment plants using high performance liquid chromatography-tandem mass spectrometry. J Agric Food Chem. 2010 Apr 28;58(8):4588-93. doi: 10.1021/jf904454w. PMID: 20297815. 20: Yuan MS, Li ZP, Wang Q. 2-Chloro-N-isopropyl-N-phenyl-acetamide. Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 14;66(Pt 8):o2017. doi: 10.1107/S1600536810027157. PMID: 21588328; PMCID: PMC3007416.

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