| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| 250mg |
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| Other Sizes |
Purity: ≥98%
| Targets |
YYA-021 targets the HIV-1 envelope glycoprotein gp120. It binds to the highly conserved Phe43 cavity on gp120, mimicking the interaction of the CD4 receptor. This binding induces a conformational change that exposes the gp120 co-receptor binding site. However, the specific binding of YYA-021 does not effectively trigger the pre-hairpin intermediate formation required for viral fusion, a key step in the entry process. By blocking this step, YYA-021 acts as a potent inhibitor of HIV-1 entry. Its mechanism represents a promising strategy for the development of new antiviral agents.
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| ln Vitro |
YYA-021 enhances the neutralization sensitivity of simian-human immunodeficiency virus (SHIV) carrying the envelope from the clade B clinical human immunodeficiency virus type 1 (HIV-1) isolate MNA.
Kinase Assay: YYA-021 is a small-molecule CD4 mimic that inhibits HIV entry, with high anti-HIV activity and low cytotoxicity. IC50 value: 8.4 μM Cell Assay: HIV IC50 (=8.4 μM) value of YYA-021 is determined by a single round assay using cYTA48P virus and TZM-bl cells. YYA-021 is broadly distributed in tissues, probably as a result of its hydrophobicity. The plasma concentrations of YYA-021 in both species remained at micromolar levels for several hours post-injection. In vitro, YYA-021 has been shown to be a potent inhibitor of HIV-1 entry. It binds to gp120 with high affinity and prevents the virus from infecting target cells. Studies have demonstrated its activity against a wide range of HIV-1 isolates, including those that are resistant to other entry inhibitors. The compound's binding site on the conserved Phe43 cavity makes it effective against diverse viral strains. It has been used in research to study the mechanisms of HIV-1 entry and to develop new strategies for antiviral therapy. |
| ln Vivo |
Rats and rhesus macaques |
| Enzyme Assay |
Non-cellular binding assays for YYA-021 typically involve measuring its affinity for the HIV-1 gp120 protein. These assays use purified gp120 or the gp120 core domain to study the binding of the compound. Surface plasmon resonance (SPR) or enzyme-linked immunosorbent assays (ELISA) are commonly used to determine the binding affinity (Kd). These experiments are essential for characterizing the compound's interaction with its target and for optimizing its potency.
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| Cell Assay |
In vitro cell-based assays for YYA-021 are used to study its antiviral activity. These assays involve infecting susceptible cells, such as T-cell lines or peripheral blood mononuclear cells (PBMCs), with HIV-1 in the presence of the compound. Viral replication is measured by assessing viral protein production (e.g., p24 antigen) or by measuring viral RNA. The compound's ability to inhibit viral entry is confirmed by these experiments. Its potency is quantified by determining the half-maximal inhibitory concentration (IC50).
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| Animal Protocol |
14 mg/kg (rats), 13.4 mg/kg (rhesus macaques); i.v. injection | Rat, dog and monkey
| ADME/Pharmacokinetics |
YYA-021 is a small molecule with a molecular weight of 386.44 g/mol. As a research compound, its pharmacokinetic properties have been studied in preclinical models. It is expected to be absorbed after administration and to distribute to tissues. Its half-life, bioavailability, and metabolic stability would need to be optimized for therapeutic use. YYA-021 is not an approved drug and is available only as a research compound.
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| Toxicity/Toxicokinetics |
Comprehensive toxicological data for YYA-021 are not extensively detailed in standard summaries, as it is a research compound. As with all investigational drugs, its safety profile would need to be evaluated in preclinical studies. YYA-021 is not approved for clinical use and is available only as a research compound for laboratory use.
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| References |
J Gen Virol.2013 Dec;94(Pt 12):2710-6;Bioorg Med Chem.2013 Dec 15;21(24):7884-9.
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| Additional Infomation |
YYA-021 is a small molecule CD4-mimetic HIV-1 entry inhibitor that targets the highly conserved Phe43 cavity on gp120. It is a potent inhibitor with activity against a broad range of HIV-1 isolates. Its unique mechanism of action makes it a valuable research tool for studying HIV-1 entry and a potential candidate for the development of new antiviral therapies. YYA-021 is not an approved drug and is available only as a research compound.
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| Molecular Formula |
C18H27N3O2
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| Molecular Weight |
317.43
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| Exact Mass |
317.21
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| CAS # |
144217-65-2
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| Related CAS # |
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| PubChem CID |
3107635
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| Appearance |
White to off-white solid powder
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| LogP |
3.151
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
23
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| Complexity |
435
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C(NC1=CC=C(C)C=C1)C(NC2CC(C)(C)NC(C)(C)C2)=O
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| InChi Key |
AYAGJQPDCPRMNG-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H27N3O2/c1-12-6-8-13(9-7-12)19-15(22)16(23)20-14-10-17(2,3)21-18(4,5)11-14/h6-9,14,21H,10-11H2,1-5H3,(H,19,22)(H,20,23)
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| Chemical Name |
N'-(4-methylphenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.88 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 25.0 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: 2.5 mg/mL (7.88 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (7.88 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1503 mL | 15.7515 mL | 31.5030 mL | |
| 5 mM | 0.6301 mL | 3.1503 mL | 6.3006 mL | |
| 10 mM | 0.3150 mL | 1.5752 mL | 3.1503 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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