HPPD-IN-14
HPPD-IN-14 is an inhibitor of Arabidopsis thaliana 4-hydroxyphenylpyruvate dioxygenase (AtHPPD), with an IC50 of 0.188 μM and a Ki of 0.0077 μM. HPPD-IN-14 forms a stable complex through coordination with the active-site metal ion and multiple non-covalent interactions, thereby inhibiting the growth of target weeds, and exhibits high safety to wheat. HPPD-IN-14 can be used in herbicide-related research.
For research use only. We do not sell to patients.
- CAS No.: 2776994-70-6
- Formula: C21H21F3N2O5
- Molecular Weight:438.40
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Storage:
Please store the product under the recommended conditions in the Certificate of Analysis.
Biological Activity
Description
IC50 & Target
[1]|
AtHPPD 0.188 μM (IC50) |
AtHPPD 0.0077 μM (Ki) |
In Vitro
HPPD-IN-14 (II-36) inhibits purified Arabidopsis thaliana HPPD with an IC50 of 0.188 μM[1].
HPPD-IN-14 (II-36) binds to Arabidopsis thaliana HPPD with a binding free energy of -8.778 kcal/mol, via metal chelation, π-π stacking, and hydrophobic interactions with key active site residues[1].
HPPD-IN-14 (II-36) (0.05-0.09 μM; 30 min) acts as a slow-binding inhibitor of purified Arabidopsis thaliana HPPD, with an inhibition constant (Ki) of 0.0077 μM[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. 2776994-70-6
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Molecular Weight 438.40
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Formula C21H21F3N2O5
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SMILES
O=C1CCCC(O)=C1C(C2=CC=C(N=C(C(F)(F)F)N(CCOCC)C3=O)C3=C2C)=O
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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)