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Fenvalerate

CAT: 0804-HY-B2006-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B2006-01Size:25 mg
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Description
Fenvalerate is a potent protein phosphatase 2B (calcineurin) inhibitor with an IC50 of 2-4 nM for PP2B-Aα. Fenvalerate is a pyrethroid ester insecticide and acaricide[1].
CAS Number
51630-58-1
UNSPSC
12352005
Hazard Statement
H301, H315, H319, H335, H410
Target
Bacterial; Phosphatase
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/fenvalerate.html
Concentration
10mM
Purity
99.75
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OC(C#N)C1=CC=CC(OC2=CC=CC=C2)=C1)C(C(C)C)C3=CC=C(Cl)C=C3
Molecular Formula
C25H22ClNO3
Molecular Weight
419.90
Precautions
H301, H315, H319, H335, H410
References & Citations
[1]E Enan, et al. Specific Inhibition of Calcineurin by Type II Synthetic Pyrethroid Insecticides. Biochem Pharmacol. 1992 Apr 15;43 (8) :1777-84.|[2]A R Reilein, et al. Regulation of Organelle Movement in Melanophores by Protein Kinase A (PKA), Protein Kinase C (PKC), and Protein Phosphatase 2A (PP2A) . J Cell Biol. 1998 Aug 10;142 (3) :803-13.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Fenvalerate

Fenvalerate is a carboxylic ester obtained by formal condensation between 2-(4-chlorophenyl)-3-methylbutyric acid and cyano(3-phenoxyphenyl)methanol. It has a role as a pyrethroid ester insecticide and a pyrethroid ester acaricide. It is a carboxylic ester, an aromatic ether and a member of monochlorobenzenes. It is functionally related to a 2-(4-chlorophenyl)-3-methylbutyric acid.

CAS Number51630-58-1
PubChem CID3347
IUPAC Name[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate
Molecular FormulaC25H22ClNO3
Molecular Weight419.9
XLogP6.2
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity586
SMILES
CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
InChIKey
NYPJDWWKZLNGGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fenvalerate
CAS: 51630-58-1
CID: 3347
Formula: C25H22ClNO3
MW: 419.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.9
XLogP36.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass419.1288213
Monoisotopic Mass419.1288213
Topological Polar Surface Area59.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity586
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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