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Pyrimorph

CAT: 0804-HY-123155-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-123155-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pyrimorph is a fungicide with excellent antifungal activity against oomycetes[1].
CAS Number
868390-90-3
UNSPSC
12352005
Target
Fungal
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/pyrimorph.html
Purity
95.61
Solubility
DMSO : 125 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(N1CCOCC1)/C=C(C2=CC(Cl)=NC=C2)\C3=CC=C(C(C)(C)C)C=C3
Molecular Formula
C22H25ClN2O2
Molecular Weight
384.90
References & Citations
[1]Xiaojing Yan, et al. Study of inhibitory effects and action mechanism of the novel fungicide pyrimorph against Phytophthora capsici. J Agric Food Chem. 2010 Mar 10;58 (5) :2720-5. |[2]Chunqing Zhao, et al. Acute toxicity and bioconcentration of pyrimorph in zebrafish, Brachydanio rerio. Pest Manag Sci. 2011 Sep;67 (9) :1178-83.
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

Pyrimorph

an industrial fungicide; structure in first source

CAS Number868390-90-3
PubChem CID75987268
IUPAC Name3-(4-tert-butylphenyl)-3-(6-chloro-3-pyridinyl)-1-morpholin-4-ylprop-2-en-1-one
Molecular FormulaC22H25ClN2O2
Molecular Weight384.9
XLogP4.9
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity529
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=CC(=O)N2CCOCC2)C3=CN=C(C=C3)Cl
InChI
InChI=1S/C22H25ClN2O2/c1-22(2,3)18-7-4-16(5-8-18)19(17-6-9-20(23)24-15-17)14-21(26)25-10-12-27-13-11-25/h4-9,14-15H,10-13H2,1-3H3
InChIKey
BAUQXSYUDSNRHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrimorph
CAS: 868390-90-3
CID: 75987268
Formula: C22H25ClN2O2
MW: 384.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.9
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass384.1604557
Monoisotopic Mass384.1604557
Topological Polar Surface Area42.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1796-10Pyrimorph
A22144-5Pyrimorph 5mg
A22144-200Pyrimorph 200mg
A22144-25Pyrimorph 25mg
A22144-10Pyrimorph 10mg
A22144-500Pyrimorph 500mg
A22144-100Pyrimorph 100mg
A22144-50Pyrimorph 50mg
A22144-10mM-DPyrimorph 10mM * 1mL in DMSO

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