Herbicide safener-4
Herbicide safener-4 is a herbicide safener targeting acetolactate synthase (ALS). Herbicide safener-4 competitively binds to the active site of ALS, blocks the binding of Mesosulfuron-methyl (HY-126987), and simultaneously allows substrates to enter for catalytic reactions. Herbicide safener-4 increases the content/activity of glutathione (GSH), glutathione S-transferase (GST), cytochrome P450 monooxygenase (CYP450) and peroxidase (POD) in plants, and decreases the activity of superoxide dismutase (SOD).
For research use only. We do not sell to patients.
- CAS No.: 3056059-99-2
- Formula: C18H14Cl2N6O2
- Molecular Weight:417.25
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
Herbicide safener-4 (I-15) increases GSH content in Xinong 3517 wheat exposed to Mesosulfuron-methyl (HY-126987), with values of 29.3 ng/L in roots and 15.9 ng/L in shoots[1].
Herbicide safener-4 significantly enhances CYP450 activity in Xinong 3517 wheat exposed to mesosulfuron-methyl, with values of 753.6 IU/L in roots and 312.1 IU/L in shoots[1].
Herbicide safener-4 strongly enhances POD activity in Xinong 3517 wheat exposed to mesosulfuron-methyl, with values of 7.3 mU/L in roots and 4.7 mU/L in shoots[1].
Herbicide safener-4 reduces elevated SOD activity in Xinong 3517 wheat exposed to mesosulfuron-methyl, with values of 1101.9 U/L in roots and 526.2 U/L in shoots[1].
Herbicide safener-4 effectively restores ALS activity in Xinong 3517 wheat exposed to mesosulfuron-methyl, with values of 333.7 IU/L in roots and 296.2 IU/L in shoots[1].
Herbicide safener-4 binds to the active site of Arabidopsis thaliana ALS with an interaction energy of 44.43 kcal/mol, forming multiple stabilizing interactions that allow it to competitively block mesosulfuron-methyl binding[1].
Herbicide safener-4 forms a stable complex with Arabidopsis thaliana ALS over a 100 ns MD simulation, with consistent RMSD values confirming sustained binding to the enzyme's active site[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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CAS No. 3056059-99-2
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Molecular Weight 417.25
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Formula C18H14Cl2N6O2
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SMILES
O=C(C1=NN(C2=C3N=CN(CC)C3=NC=N2)C(C4=CC=C(Cl)C(Cl)=C4)=C1)OC
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Shipping
Room temperature in continental US; may vary elsewhere.
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Storage
Please store the product under the recommended conditions in the Certificate of Analysis.
Purity & Documentation
References
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
- Herbicide safener-4
- 3056059-99-2
- Herbicide safener4
- Herbicide safener 4
- Herbicide
- Acetolactate Synthase (ALS)
- Cytochrome P450
- SOD
- Glutathione S-transferase
- mesosulfuron-methyl
- superoxide dismutase
- acetolactate synthase
- glutathione S-transferase
- glutathione
- peroxidase
- wheat
- Arabidopsis thaliana
- Xinong 3517 wheat
- cytochrome P450 monooxygenase
- Inhibitor
- inhibitor
- inhibit