| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
2-Chloroacetamide targets very-long-chain fatty acid (VLCFA) elongase, an enzyme involved in lipid metabolism in plants. By inhibiting VLCFA elongase, the compound interferes with the synthesis of very-long-chain fatty acids, which are essential components of plant cell membranes and cuticular waxes. This inhibition disrupts cell membrane integrity and leads to plant death.
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|---|---|
| ln Vitro |
2-Chloroacetamide demonstrates in vitro activity as a herbicide by inhibiting VLCFA elongase. It is effective in controlling vegetation in both upland and paddy field environments. The compound also exhibits antimicrobial activity as a biocide and preservative in various applications.
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| ln Vivo |
In vivo activity of 2-chloroacetamide has been demonstrated in agricultural applications as a herbicide and fungicide. It is used for vegetation control in dryland and paddy fields. The compound's herbicidal activity is based on the inhibition of VLCFA elongase, leading to plant death.
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| Enzyme Assay |
In vitro enzyme assays for 2-chloroacetamide involve measuring its inhibition of VLCFA elongase activity. The assay typically uses plant microsomes or recombinant enzyme and measures the elongation of fatty acid substrates in the presence of the compound.
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| Cell Assay |
In vitro cellular assays for 2-chloroacetamide are not typically performed, as it is a herbicide and biocide used in agricultural and industrial applications. Its herbicidal activity is assessed in plant models, and its antimicrobial activity is assessed using standard microbial growth inhibition assays.
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| Animal Protocol |
In vivo animal experiments for 2-chloroacetamide are not applicable, as it is an agricultural herbicide and biocide rather than a therapeutic agent. Its environmental fate and toxicity to non-target organisms are evaluated in ecotoxicological studies.
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| ADME/Pharmacokinetics |
Absorption, Distribution and Excretion
This substance can be absorbed by the human body through inhalation of its aerosol, skin contact, and ingestion. Pharmacokinetic data for 2-chloroacetamide are limited, as it is an agricultural chemical rather than a therapeutic agent. The compound has a molecular weight of 93.51 and a molecular formula of C2H4ClNO. Its environmental persistence and degradation are relevant for agricultural applications. |
| Toxicity/Toxicokinetics |
Non-Human Toxicity Values
Mice oral LD50: 155 mg/kg Mice intraperitoneal LD50: 100 mg/kg Rabbit oral LD50: 122 mg/kg Dog oral LD50: 31 mg/kg For more complete non-human toxicity data on chloroacetamides (9 types in total), please visit the HSDB record page. Toxicological data for 2-chloroacetamide indicate that it is a biocide and should be handled with appropriate safety precautions. The compound is intended for agricultural and industrial use only. Standard laboratory safety precautions should be followed when handling this compound. |
| References |
[1]. Hidenori Okamoto, et al. Synthesis and Herbicidal Activity of N(1-Arylethenyl)-2-chloroacetamides. Agricultural and Biological Chemistry, Volume 55, 1991-Issue 11. [2]. A Fonia, et al. Active Sensitization to Chloracetamide. Contact Dermatitis. 2009 Jan;60(1):58-9.
[3]. Christian Eckermann, et al. Covalent Binding of Chloroacetamide Herbicides to the Active Site Cysteine of Plant Type III Polyketide Synthases. Phytochemistry. 2003 Nov;64(6):1045-54. |
| Additional Infomation |
Chloroacetamide is a chlorothioalkylating agent that forms a covalent bond with the thiol group of cysteine, thereby preventing proteins or peptides from forming disulfide bonds.
2-Chloroacetamide (CAS#: 79-07-2) has the molecular formula C2H4ClNO and a molecular weight of 93.51. It is a multifunctional compound used as a preservative, herbicide, fungicide, and biocide in agriculture, adhesives, paints, and coatings. The compound inhibits very-long-chain fatty acid elongase. |
| Molecular Formula |
C2H4CLNO
|
|---|---|
| Molecular Weight |
93.51
|
| Exact Mass |
92.998
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| CAS # |
79-07-2
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| Related CAS # |
2-Chloroacetamide-d4;122775-20-6
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| PubChem CID |
6580
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| Appearance |
Crystals from water
Colorless to pale yellow crystals |
| Density |
1.3±0.1 g/cm3
|
| Boiling Point |
256.0±13.0 °C at 760 mmHg
|
| Melting Point |
116-118 °C(lit.)
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| Flash Point |
108.6±19.8 °C
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| Vapour Pressure |
0.0±0.5 mmHg at 25°C
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| Index of Refraction |
1.448
|
| LogP |
-0.85
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
1
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
5
|
| Complexity |
44.9
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| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C(CCl)N
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| InChi Key |
VXIVSQZSERGHQP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)
|
| Chemical Name |
2-chloroacetamide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO : 100 mg/mL (1069.40 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (26.74 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (26.74 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (26.74 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 10.6940 mL | 53.4702 mL | 106.9404 mL | |
| 5 mM | 2.1388 mL | 10.6940 mL | 21.3881 mL | |
| 10 mM | 1.0694 mL | 5.3470 mL | 10.6940 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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