| Size | Price | Stock | Qty |
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| 50mg |
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| 100mg |
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| 250mg |
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| Targets |
AN-12-H5 intermediate-2 does not have a direct biological target as it is a chemical intermediate rather than a pharmacologically active compound. Its role is to serve as a precursor in the multi-step synthesis of the active viral inhibitor AN-12-H5. The ultimate target of the final compound AN-12-H5 is related to viral inhibition, though specific viral targets are not detailed in the available literature. As an intermediate, it is not designed to interact with biological receptors or enzymes. It is a synthetic chiral building block used in medicinal chemistry for constructing more complex molecular architectures with potential antiviral activity.
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| ln Vitro |
AN-12-H5 intermediate-2 is a chemical intermediate and does not possess direct in vitro biological activity against any specific target. Its utility is demonstrated in chemical synthesis rather than in biological assays. The compound's purity and structural integrity are confirmed by standard analytical techniques such as NMR and HPLC. Its physical properties, such as solubility in DMSO (200 mg/mL), are documented for handling in synthetic procedures. It serves as a precursor for the synthesis of AN-12-H5, which would subsequently be evaluated for antiviral activity in vitro.
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| ln Vivo |
AN-12-H5 intermediate-2 is not a pharmacologically active compound and does not have direct in vivo activity. Its role is confined to the chemical synthesis of the antiviral agent AN-12-H5. Any in vivo effects would be attributed to the final drug substance, AN-12-H5, after it has been fully synthesized and formulated. The intermediate itself is not administered to animals for efficacy studies. Its chemical stability and solubility are characterized to facilitate its use in organic synthesis, but it is not intended for direct biological evaluation in living organisms.
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| Enzyme Assay |
Standard in vitro enzyme/receptor binding assays are not applicable to AN-12-H5 intermediate-2 as it is a synthetic intermediate without biological activity. Quality control assays for this compound involve analytical chemistry techniques such as High-Performance Liquid Chromatography (HPLC) to determine purity and Nuclear Magnetic Resonance (NMR) spectroscopy to confirm structure. These methods ensure the correct identity and quality of the intermediate for subsequent chemical reactions. Solubility tests in various solvents (e.g., DMSO) are performed to facilitate its use in synthesis. No receptor binding or enzymatic activity assays are performed on this compound.
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| Cell Assay |
Cell-based assays are not performed on AN-12-H5 intermediate-2 as it is not a biologically active compound. The compound is a chemical reagent used in the laboratory for organic synthesis. Its evaluation is limited to chemical purity, identity, and stability. In the context of ADC synthesis, it may be conjugated to other molecules, and the resulting ADC construct would be tested in cell-based assays. However, the intermediate itself is not subjected to cell culture experiments for efficacy or toxicity. Handling procedures are based on its chemical properties rather than biological safety profiles.
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| Animal Protocol |
In vivo animal experiments are not conducted with AN-12-H5 intermediate-2. This compound is a synthetic building block used exclusively in chemical synthesis to produce the active viral inhibitor AN-12-H5. Once the final drug candidate AN-12-H5 is synthesized, it may be subjected to in vivo studies in animal models to evaluate its antiviral efficacy and pharmacokinetics. However, the intermediate itself is not administered to animals. All biological evaluation is deferred to the final compound synthesized from this intermediate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties are not applicable to AN-12-H5 intermediate-2 as it is a synthetic reagent, not a therapeutic agent. It is designed for chemical stability during storage and handling under laboratory conditions. It is recommended to be stored as a powder at -20°C for up to three years and at 4°C for up to two years. In solvent, it is stable at -80°C for six months and at -20°C for one month. The compound is soluble in DMSO at concentrations up to 200 mg/mL. These properties are relevant for its use in chemical synthesis rather than for biological distribution.
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| Toxicity/Toxicokinetics |
Toxicological data for AN-12-H5 intermediate-2 are not available as it is a research chemical intermediate and not a pharmaceutical drug. Standard safety precautions for handling organic solvents and chemical reagents should be followed, including the use of personal protective equipment (gloves, goggles, lab coat) and working in a fume hood. The compound is not intended for human or animal consumption. Its toxicity profile has not been established, and it should be treated as a potentially hazardous material. Any toxicological evaluation would be performed on the final drug candidate AN-12-H5.
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| References | |
| Additional Infomation |
AN-12-H5 intermediate-2 is a chiral building block for pharmaceutical synthesis. It is also known as (S)-1-tert-butyl 2-methyl 4-oxopiperidine-1,2-dicarboxylate. Its molecular formula is C12H19NO5, and its molecular weight is 257.28. The compound has a defined stereocenter and is used in the synthesis of complex molecules with potential antiviral properties. It is commercially available from various chemical suppliers for research use only. It can be used to synthesize Antibody-Drug Conjugates (ADCs).
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| Molecular Formula |
C12H19NO5
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|---|---|
| Molecular Weight |
257.28
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| Exact Mass |
257.126
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| CAS # |
756486-14-3
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| PubChem CID |
45790825
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| Appearance |
Colorless to light yellow liquid（Density：1.175g/cm3）
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
400.8±45.0 °C at 760 mmHg
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| Flash Point |
196.2±28.7 °C
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| Vapour Pressure |
0.0±2.0 mmHg at 25°C
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| Index of Refraction |
1.500
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| LogP |
0.47
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
18
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| Complexity |
358
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CC(C)(C)OC(=O)N1CCC(=O)C[C@H]1C(=O)OC
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| InChi Key |
ROHLQPZIUYTLGR-VIFPVBQESA-N
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| InChi Code |
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-6-5-8(14)7-9(13)10(15)17-4/h9H,5-7H2,1-4H3/t9-/m0/s1
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| Chemical Name |
1-O-tert-butyl 2-O-methyl (2S)-4-oxopiperidine-1,2-dicarboxylate
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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) |
Typically soluble in DMSO (e.g. 10 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 | 3.8868 mL | 19.4341 mL | 38.8682 mL | |
| 5 mM | 0.7774 mL | 3.8868 mL | 7.7736 mL | |
| 10 mM | 0.3887 mL | 1.9434 mL | 3.8868 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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