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Antimalarial agent 1

CAT: 0013-GTR19177597-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177597-02Size:25 mg
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Description
This small molecule compound is a potent antimalarial agent validated for research use. It is suitable for both in vitro assays against Plasmodium cultures and in vivo studies in animal models of malaria, supporting drug discovery and parasitology research.
CAS Number
84176-65-8
Product Name Alternative
Antimalarial agent 1, Antimalarial agent1, Antimalarial agent-1, Parasite, Inhibitor, inhibit
Field of Research
Infectious Disease & Virology
Purity
97.44% (May vary between batches)
Solubility
DMSO:60 mg/mL (174.26 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.81 mM)
Smiles
OP (O) (O) =O.CC (C) c1nc2nc (N) nc (N) c2nc1C (C) C
Molecular Formula
C12H21N6O4P
Molecular Weight
344.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6,7-Diisopropylpteridine-2,4-diamine phosphate
CAS Number84176-65-8
PubChem CID264001
IUPAC Name6,7-di(propan-2-yl)pteridine-2,4-diamine;phosphoric acid
Molecular FormulaC12H21N6O4P
Molecular Weight344.31
Topological Polar Surface Area181
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity332
SMILES
CC(C)C1=NC2=C(N=C(N=C2N=C1C(C)C)N)N.OP(=O)(O)O
InChI
InChI=1S/C12H18N6.H3O4P/c1-5(2)7-8(6(3)4)16-11-9(15-7)10(13)17-12(14)18-11;1-5(2,3)4/h5-6H,1-4H3,(H4,13,14,16,17,18);(H3,1,2,3,4)
InChIKey
YNQBQYASRYRNRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Diisopropylpteridine-2,4-diamine phosphate
CAS: 84176-65-8
CID: 264001
Formula: C12H21N6O4P
MW: 344.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.31
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass344.13619017
Monoisotopic Mass344.13619017
Topological Polar Surface Area181 Ų
Heavy Atom Count23
Formal Charge0
Complexity332
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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