Physicochemical Properties
| Molecular Formula | C12H18N6.H3O4P |
| Molecular Weight | 344.30674 |
| Exact Mass | 344.136 |
| Elemental Analysis | C, 41.86; H, 6.15; N, 24.41; O, 18.59; P, 9.00 |
| CAS # | 84176-65-8 |
| Related CAS # | 84176-65-8 (phosphate);3810-29-5; |
| PubChem CID | 264001 |
| Appearance | Solid powder |
| Boiling Point | 441.8ºC at 760 mmHg |
| Melting Point | 232-234ºC(lit.) |
| Flash Point | 251.2ºC |
| LogP | 2.064 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 23 |
| Complexity | 332 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | O=P(O)(O)O.N1C2C(=NC(C(C)C)=C(C(C)C)N=2)C(N)=NC=1N |
| InChi Key | YNQBQYASRYRNRY-UHFFFAOYSA-N |
| InChi Code | 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) |
| Chemical Name | 2,4-Diamino-6,7-diisopropylpteridine Phosphate |
| Synonyms | AH 10639; AH-10639; AH10639; Antibiotic O-129; O 129; NSC 98771; NSC-98771; NSC98771; AH10639 phosphate; |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | Plasmodium |
| ln Vitro | Antimalarial agent 1 has an antimalarial index of 1:40, when tested against Plasmodium gallinaceum[1]. |
| References |
[1]. The action of 2:4-diamino-6:7-diisopropylpteridine on normal, proguanil- and sulphadiazine-resistant strains of Plasmodium gallinaceum. arasitology. 1953 Jan;42(3-4):272-6. |
Solubility Data
| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~363.04 mM) H2O : ~2 mg/mL (~5.81 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.08 mg/mL (6.04 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9044 mL | 14.5218 mL | 29.0436 mL | |
| 5 mM | 0.5809 mL | 2.9044 mL | 5.8087 mL | |
| 10 mM | 0.2904 mL | 1.4522 mL | 2.9044 mL |