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Pyrimethamine

CAT: 0013-GTR19161387-02Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19161387-02Size:1 g
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Description
A synthetic derivative of ethyl-pyrimidine with potent antimalarial properties; interferes with the regeneration of tetrahydrofolic acid from dihydrofolate by competitively inhibiting DHFR; has also been found to reduce the expression of SOD1.Parasite Infection Approved (In Vitro) :Pyrimethamine (Pirimecidan; 4 nM-4 μM; 24 h; LLC-MK2 cells with T. gondii) combination of Fluconazole (FLZ) (HY-B0101) inhibits T. gondii activity with IC50 values of 0.23, 0.19, 0.23, 0.34, 0.14, and 0.19 μM for FLZ concentration at 0, 0.05, 0.1, 0.5, 1.0, and 3.0 μM, respectively.
CAS Number
58-14-0
Product Name Alternative
Pirimecidan | Pirimetamin | RP 4753
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
10 mM in DMSO
Smiles
CCC1=C (C (=NC (=N1) N) N) C2=CC=C (C=C2) Cl
Molecular Formula
C12H13ClN4
Molecular Weight
248.7114
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2,4-Pyrimidinediamine, 5- (4-chlorophenyl) -6-ethyl-

Chemical Information

Pyrimethamine

Pyrimethamine can cause developmental toxicity according to state or federal government labeling requirements.

CAS Number58-14-0
PubChem CID4993
IUPAC Name5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Molecular FormulaC12H13ClN4
Molecular Weight248.71
XLogP2.7
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity243
SMILES
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey
WKSAUQYGYAYLPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyrimethamine
CAS: 58-14-0
CID: 4993
Formula: C12H13ClN4
MW: 248.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.71
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass248.0828741
Monoisotopic Mass248.0828741
Topological Polar Surface Area77.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity243
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TRC-P997240-10MGPyrimethamine

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