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| Targets |
PMEDAP targets viral replication, specifically inhibiting HIV replication. Its mechanism involves interference with viral DNA synthesis or reverse transcription, consistent with its classification as a nucleotide analog. The compound also shows activity against murine cytomegalovirus and Moloney murine sarcoma virus.
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| ln Vitro |
PMEDAP demonstrates potent in vitro inhibition of HIV replication. It exhibits anti-murine cytomegalovirus activity. The compound is a potent inhibitor of Moloney murine sarcoma virus-induced tumor formation. These activities make it a valuable tool for antiviral research.
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| ln Vivo |
In neonatal mice injected with MSV, PMEDAP (0.25–5 mg/kg; IP); daily; beginning on the day of MSV infection and continuing for four more days) results in a dose-dependent inhibition of tumor growth and mortality[1].
In vivo activity of PMEDAP has been demonstrated by its potent inhibition of Moloney murine sarcoma virus-induced tumor formation and associated mortality in animal models. This suggests potential for in vivo efficacy against retroviral infections and associated tumors. |
| Enzyme Assay |
In vitro enzyme assays for PMEDAP involve measuring its inhibition of viral enzymes such as reverse transcriptase or DNA polymerase. The compound's ability to inhibit viral replication can be assessed using cell-based antiviral assays with HIV-infected cells.
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| Cell Assay |
In vitro cellular assays for PMEDAP involve treating HIV-infected cells with varying concentrations of the compound and measuring viral replication. The compound's antiviral activity is assessed by measuring viral RNA or protein levels. Cytotoxicity is evaluated using standard cell viability assays.
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| Animal Protocol |
Animal/Disease Models: Threeweeks old male NMRI mice[1]
Doses: 0.25 mg/kg, 1 mg/kg, 5 mg/kg Route of Administration: IP ; daily; starting on the day of infection and continuing for an additional four days Experimental Results: Effected a significant delay in tumor appearance and an enhancement of the survival rate of tumor-bearing mice. In vivo animal experiments for PMEDAP involve administering the compound to animal models of viral infection or viral-induced tumors. Efficacy is evaluated by measuring viral load, tumor growth, or survival rates. The compound's activity against Moloney murine sarcoma virus has been demonstrated in such models. |
| ADME/Pharmacokinetics |
Pharmacokinetic data for PMEDAP are limited. As a nucleotide analog, its absorption, distribution, metabolism, and excretion properties would influence its bioavailability. Further pharmacokinetic studies are needed to determine its systemic exposure and elimination pathways.
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| Toxicity/Toxicokinetics |
Toxicological data for PMEDAP are limited. As a potent antiviral agent, it may have potential for toxicity at higher concentrations. Standard laboratory safety precautions should be followed when handling this compound. It is intended for research use only.
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| References |
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| Additional Infomation |
PMEDAP (CAS#: 113852-41-8) has the molecular formula C8H13N6O4P and a molecular weight of 288.20 g/mol. Its chemical name is P-[[2-(2,6-diamino-9H-purin-9-yl)ethoxy]methyl]-phosphonic acid. The compound is a potent HIV replication inhibitor and has anti-MCMV and anti-MSV activity.
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| Molecular Formula |
C8H13N6O4P
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|---|---|
| Molecular Weight |
288.20
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| Exact Mass |
288.074
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| Elemental Analysis |
C, 33.34; H, 4.55; N, 29.16; O, 22.21; P, 10.75
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| CAS # |
113852-41-8
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| PubChem CID |
64988
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| Appearance |
White to off-white solid powder
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| Density |
2.03g/cm3
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| Boiling Point |
748.7ºC at 760mmHg
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| Flash Point |
406.6ºC
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| Vapour Pressure |
1.51E-23mmHg at 25°C
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| Index of Refraction |
1.826
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| LogP |
-2.6
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
19
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| Complexity |
354
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OP(COCCN1C=NC2=C(N=C(N=C12)N)N)(O)=O
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| InChi Key |
XHXFQGAZAVKMFF-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C8H13N6O4P/c9-6-5-7(13-8(10)12-6)14(3-11-5)1-2-18-4-19(15,16)17/h3H,1-2,4H2,(H2,15,16,17)(H4,9,10,12,13)
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| Chemical Name |
((2-(2,6-diamino-9H-purin-9-yl)ethoxy)methyl)phosphonic acid
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| Synonyms |
GS 0573; GS0573; GS-0573;
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
0.1 M NaOH : 14.29 mg/mL (49.58 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4698 mL | 17.3491 mL | 34.6981 mL | |
| 5 mM | 0.6940 mL | 3.4698 mL | 6.9396 mL | |
| 10 mM | 0.3470 mL | 1.7349 mL | 3.4698 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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