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P 218

CAT: 0013-GTR19232014-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232014-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
P 218 is a small molecule inhibitor of dihydrofolate reductase (DHFR) with demonstrated antimalarial and antifolate activity. It serves as a research tool for studying diseases like Buruli ulcer, with applications in both in vitro enzymatic assays and in vivo model studies.
CAS Number
1142407-60-0
Product Name Alternative
P218, DHFR
Field of Research
Cell Biology, Metabolism Research, Molecular Biology
Purity
98.83% (May vary between batches)
Smiles
Cl.O=C (O) CCC=1C=CC=CC1OCCCOC=2C (=NC (=NC2CC) N) N
Molecular Formula
C18H25ClN4O4
Molecular Weight
396.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2,4-Diamino-6-ethyl-5-(3-(2-(2-carboxyethyl)phenoxy)propoxy)pyrimidine hydrochloride
CAS Number1142407-60-0
PubChem CID68574770
IUPAC Name3-[2-[3-(2,4-diamino-6-ethylpyrimidin-5-yl)oxypropoxy]phenyl]propanoic acid;hydrochloride
Molecular FormulaC18H25ClN4O4
Molecular Weight396.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count27
Formal Charge0
Complexity426
SMILES
CCC1=C(C(=NC(=N1)N)N)OCCCOC2=CC=CC=C2CCC(=O)O.Cl
InChI
InChI=1S/C18H24N4O4.ClH/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24;/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22);1H
InChIKey
BVRPZXMKYBDROK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4-Diamino-6-ethyl-5-(3-(2-(2-carboxyethyl)phenoxy)propoxy)pyrimidine hydrochloride
CAS: 1142407-60-0
CID: 68574770
Formula: C18H25ClN4O4
MW: 396.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass396.1564330
Monoisotopic Mass396.1564330
Topological Polar Surface Area134 Ų
Heavy Atom Count27
Formal Charge0
Complexity426
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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