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| Targets |
The primary target of ALS-8112 is the RSV polymerase, a key enzyme in the viral replication complex. Once inside the cell, ALS-8112 is phosphorylated to its active 5'-triphosphate form, which then acts as a chain terminator during RNA synthesis. By inhibiting the RSV polymerase, it prevents viral RNA replication, thereby halting the viral life cycle. This mechanism is similar to other nucleoside analog antivirals.
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| ln Vitro |
The drug's active form, ALS-8112 -TP, disables RSV polymerase by causing RNA synthesis to terminate at the 5'-triphosphate [2]. After entering different kinds of respiratory tract epithelial cells, ALS-008112 is phosphorylated to produce intracellular nucleoside triphosphates, which have a half-life of roughly 29. RSV replication is similarly inhibited by hourly nucleoside triphosphates via chain termination [3]. With an IC50 of 0.020 ± 0.008 μM, ALS-8112 is an external RSV replicating ubiquitin ALS-8112-TP that proportionally suppresses the RSV–RNP complex's RNA regulatory action [4].
In vitro, ALS-8112 demonstrates potent antiviral activity against RSV. Its 5'-triphosphate form inhibits RSV polymerase with an IC₅₀ of 0.02 μM. The compound's activity is selective for RSV, showing potent inhibition of viral replication in cell-based assays. These studies confirm its mechanism as a chain-terminating inhibitor of the RSV polymerase. |
| ln Vivo |
In vivo, ALS-8112 has been studied for its antiviral efficacy. As a nucleoside analog, it is designed to be phosphorylated intracellularly to its active triphosphate form. Its efficacy in animal models of RSV infection supports its potential as an antiviral agent. The compound is a research tool for studying RSV biology and for the development of new treatments for RSV infection.
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| Enzyme Assay |
In vitro enzyme assays for ALS-8112 measure its inhibition of RSV polymerase. The enzyme is incubated with a RNA template, nucleotides, and the 5'-triphosphate form of ALS-8112. The incorporation of the compound into the growing RNA chain and subsequent chain termination is monitored. IC₅₀ values are determined from these assays. Selectivity against host polymerases is also assessed.
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| Cell Assay |
In vitro cell-based assays for ALS-8112 evaluate its antiviral activity against RSV. Cells are infected with RSV and treated with various concentrations of the compound. Viral replication is measured by plaque assay, qRT-PCR, or by quantifying viral protein expression. Cytotoxicity is assessed using standard cell viability assays to determine the therapeutic index.
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| Animal Protocol |
In vivo animal studies for ALS-8112 would typically involve mouse models of RSV infection. The compound is administered via oral or parenteral routes. Efficacy is assessed by measuring viral load in the lungs, monitoring weight loss, and evaluating lung histopathology. Pharmacokinetic studies are often conducted concurrently to correlate drug exposure with antiviral effect.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of ALS-8112 are consistent with a nucleoside analog. Its molecular weight is 293.68 g/mol. The compound is soluble in DMSO (≥ 47 mg/mL) and should be stored as a powder at -20°C for long-term stability. It is converted intracellularly to its active triphosphate form.
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| Toxicity/Toxicokinetics |
The toxicity profile of ALS-8112 is not extensively detailed in the available literature, but it is classified for research use only. As a nucleoside analog, potential toxicity could include effects on host polymerases, though it is reported to be selective. Standard safety precautions for handling bioactive compounds should be followed.
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| References |
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| Additional Infomation |
Additional information: ALS-8112 is also known as ALS 008112. Its IUPAC name is 4-Amino-1-((2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one. The compound is an anti-infection agent. This product is for research use only and is not approved for clinical or therapeutic applications.
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| Molecular Formula |
C10H13CLFN3O4
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|---|---|
| Molecular Weight |
293.6793
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| Exact Mass |
293.057
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| CAS # |
1445379-92-9
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| Related CAS # |
Lumicitabine;1445385-02-3
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| PubChem CID |
71621663
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| Appearance |
White to off-white solid powder
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| Density |
1.8±0.1 g/cm3
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| Boiling Point |
532.8±60.0 °C at 760 mmHg
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| Flash Point |
276.0±32.9 °C
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| Vapour Pressure |
0.0±3.2 mmHg at 25°C
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| Index of Refraction |
1.668
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| LogP |
-0.42
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
19
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| Complexity |
447
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| Defined Atom Stereocenter Count |
4
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| SMILES |
C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@](O2)(CO)CCl)O)F
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| InChi Key |
AWSRKKBIPSQHOJ-IBCQBUCCSA-N
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| InChi Code |
InChI=1S/C10H13ClFN3O4/c11-3-10(4-16)7(17)6(12)8(19-10)15-2-1-5(13)14-9(15)18/h1-2,6-8,16-17H,3-4H2,(H2,13,14,18)/t6-,7+,8-,10-/m1/s1
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| Chemical Name |
4-amino-1-[(2R,3R,4R,5R)-5-(chloromethyl)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
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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 |
| 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) |
DMSO : ≥ 47 mg/mL (~160.04 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.51 mM) (saturation unknown) in 5% DMSO + 40% PEG300 + 5% Tween80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.51 mM) (saturation unknown) in 5% DMSO + 95% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.4051 mL | 17.0253 mL | 34.0507 mL | |
| 5 mM | 0.6810 mL | 3.4051 mL | 6.8101 mL | |
| 10 mM | 0.3405 mL | 1.7025 mL | 3.4051 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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