Products for Research Use Only
RegisterLogin

Azoxystrobin-d4

CAT: 0804-HY-B0849S-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-B0849S-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Azoxystrobin-d4 is deuterium labeled Azoxystrobin. Azoxystrobin is a broad-spectrum β-methoxyacrylate fungicide. Azoxystrobin inhibits mitochondrial respiration by binding to the Qo site of the cytochrome bc1 complex and inhibiting electron transfer. Azoxystrobin induces the production of reactive oxygen species (ROS) and induces cell apoptosis.
CAS Number
1346606-39-0
UNSPSC
12352005
Target
Apoptosis; Fungal; Isotope-Labeled Compounds; Reactive Oxygen Species (ROS)
Type
Isotope-Labeled Compounds
Related Pathways
Anti-infection; Apoptosis; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB; Others
Applications
COVID-19-immunoregulation
Field of Research
Infection
Solubility
10 mM in DMSO
Smiles
[2H]C1=C([2H])C([2H])=C([2H])C(C#N)=C1OC2=NC=NC(OC3=CC=CC=C3/C(C(OC)=O)=C\OC)=C2
Molecular Formula
C22H13D4N3O5
Molecular Weight
407.41
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Enock Mpofu, et al. Azoxystrobin amine: A novel azoxystrobin degradation product from Bacillus licheniformis strain TAB7. Chemosphere. 2021 Jun;273:129663.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Azoxystrobin-d4
CAS Number1346606-39-0
PubChem CID71313610
IUPAC Namemethyl (E)-2-[2-[6-(2-cyano-3,4,5,6-tetradeuteriophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
Molecular FormulaC22H17N3O5
Molecular Weight407.4
XLogP3.7
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity646
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C#N)OC2=CC(=NC=N2)OC3=CC=CC=C3/C(=C\OC)/C(=O)OC)[2H])[2H]
InChI
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+/i3D,5D,7D,9D
InChIKey
WFDXOXNFNRHQEC-IRBJAXQRSA-N
Chemical Structure
2D Structure
2D structure of Azoxystrobin-d4
CAS: 1346606-39-0
CID: 71313610
Formula: C22H17N3O5
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass407.14192764
Monoisotopic Mass407.14192764
Topological Polar Surface Area104 Ų
Heavy Atom Count30
Formal Charge0
Complexity646
Isotope Atom Count4
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-B0849-01Azoxystrobin
HY-B0849R-01Azoxystrobin (Standard)
HY-B0849A-01(Z) -Azoxystrobin
HY-B0849S1-01Azoxystrobin-d3
HY-151912S-01Picolinafen-d4 (4-Fluorophenyl-d4)
HY-132468SKeto Pioglitazone-d4 (M-III-d4)
HY-151892SGlimepiride-d4 (phenylethyl-α, α, β, β-d4) (cis/trans)
HY-151910S(±) -Fluoxetine-d4 Oxalate (trifluoromethylphen-d4-oxy)
HY-W654154Dexmedetomidine-d4 L-tartrate (-d4-major)
HY-113313S2Aldosterone-d4

Alternative Products

CatalogName
WDC60639-01Azoxystrobin-d4
T21275-01Azoxystrobin
KXB25509-01Azoxystrobin acid
TFA13094-01(Z) -Azoxystrobin
TRC-A965155-25MG(Z)-Azoxystrobin

Popular Products