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Propaquizafop

CAT: 0804-HY-117262-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-117262-01Size:5 mg
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Description
Propaquizafop is a phenoxyisopropionic acid herbicide and an acetyl-coA carboxylase inhibitor[1][2].
CAS Number
111479-05-1
Product Name Alternative
PF-06651600
UNSPSC
12352005
Hazard Statement
H317-H410
Target
Acetyl-CoA Carboxylase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/propaquizafop.html
Purity
98.33
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
C[C@H](C(OCCO/N=C(C)\C)=O)OC1=CC=C(C=C1)OC2=NC3=CC=C(C=C3N=C2)Cl
Molecular Formula
C22H22ClN3O5
Molecular Weight
443.88
Precautions
P261-P272-P273-P280-P302+P352-P362+P364-P391-P501
References & Citations
[1] Bouis, et al. Effect of Propaquizafop and Its Free-Acid Derivative on Lauric Acid Hydroxylation and Peroxisomal Beta-Oxidation in Primary Cultured Rat, Mouse, Guinea Pig and Marmoset Hepatocytes. Toxicol In Vitro. 1993 Jul;7 (4) :427-31.|[2]Laura R Davies, et al. Detection and Characterization of Resistance to Acetolactate Synthase Inhibiting Herbicides in Anisantha and Bromus Species in the United Kingdom. Pest Manag Sci. 2020 Jul;76 (7) :2473-2482.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Propaquizafop

Propaquizafop is a quinoxaline derivative used as systemic herbicide for annual and perennial grasses. It has a role as an agrochemical, a xenobiotic, a phenoxy herbicide and an environmental contaminant. It is a carboxylic ester, an aromatic ether, an organochlorine compound, an oxime O-ether and a quinoxaline derivative.

CAS Number111479-05-1
PubChem CID16213016
IUPAC Name2-(propan-2-ylideneamino)oxyethyl (2R)-2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Molecular FormulaC22H22ClN3O5
Molecular Weight443.9
XLogP4.6
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity596
SMILES
C[C@H](C(=O)OCCON=C(C)C)OC1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl
InChI
InChI=1S/C22H22ClN3O5/c1-14(2)26-29-11-10-28-22(27)15(3)30-17-5-7-18(8-6-17)31-21-13-24-20-12-16(23)4-9-19(20)25-21/h4-9,12-13,15H,10-11H2,1-3H3/t15-/m1/s1
InChIKey
FROBCXTULYFHEJ-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Propaquizafop
CAS: 111479-05-1
CID: 16213016
Formula: C22H22ClN3O5
MW: 443.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.9
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass443.1247985
Monoisotopic Mass443.1247985
Topological Polar Surface Area92.1 Ų
Heavy Atom Count31
Formal Charge0
Complexity596
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-P32894-01Propaquizafop
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