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SSAA09E2

Cat No.:V52986 Purity: ≥98%
SSAA09E2 is a novel SARS-CoV replication inhibitor that works by blocking the early interaction of SARS-S with the SARS-CoV receptor angiotensin-converting enzyme-2 (ACE2).
SSAA09E2
SSAA09E2 Chemical Structure CAS No.: 883944-52-3
Product category: SARS-CoV
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
SSAA09E2 is a novel SARS-CoV replication inhibitor that works by blocking the early interaction of SARS-S with the SARS-CoV receptor angiotensin-converting enzyme-2 (ACE2).
SSAA09E2 (CAS# 883944-52-3) is a novel SARS-CoV replication inhibitor that works by blocking the early interaction of SARS-S with the SARS-CoV receptor angiotensin-converting enzyme-2 (ACE2). It has a molecular formula of C16H20N4O2 and a molecular weight of 300.36. SSAA09E2 is a SARS-CoV inhibitor that acts by blocking early interactions of SARS-S with the receptor for SARS-CoV, ACE2. The compound is applied to study inhibition of viral entry pathways and receptor-mediated attachment.
Biological Activity I Assay Protocols (From Reference)
Targets
SARS-CoV[1]
SSAA09E2 targets the interaction between the SARS-CoV spike protein (SARS-S) and its host cell receptor, angiotensin-converting enzyme 2 (ACE2). By blocking this early interaction, SSAA09E2 prevents viral entry into host cells and inhibits SARS-CoV replication. The compound's mechanism involves disruption of receptor-mediated viral attachment, making it a valuable tool for studying viral entry pathways. It has also shown promise in cancer research for modulating the tumor microenvironment.
ln Vitro
SSAA09E2 demonstrates in vitro activity as a SARS-CoV replication inhibitor. It blocks the early interaction of SARS-S with ACE2, preventing viral entry. The compound's activity is typically assessed in viral entry assays using pseudotyped viruses or live SARS-CoV, as well as in binding assays measuring SARS-S-ACE2 interaction. It has shown promise in preclinical studies for the treatment of various cancers.
ln Vivo
In vivo studies for SSAA09E2 have not been extensively documented in the available literature. As a SARS-CoV replication inhibitor, it has potential for in vivo applications in the treatment of SARS-CoV infections. Studies in appropriate animal models of SARS-CoV infection would be needed to evaluate its in vivo efficacy, pharmacokinetics, and safety profile. The compound has also shown promise in cancer research.
Enzyme Assay
For SARS-S-ACE2 binding assays, SSAA09E2 is tested for its ability to inhibit the interaction between SARS-S and ACE2 at various concentrations. Binding is measured using surface plasmon resonance, ELISA, or other protein-protein interaction assays. IC50 values are calculated from dose-response curves. For viral entry assays, cells expressing ACE2 are infected with SARS-CoV pseudotyped viruses in the presence of the compound.
Cell Assay
For cellular studies, appropriate cell lines expressing ACE2 are cultured in appropriate media and infected with SARS-CoV or pseudotyped viruses. Cells are treated with SSAA09E2 at various concentrations before, during, or after infection. Viral entry and replication are assessed by measuring reporter gene expression, viral RNA levels, or plaque formation. Cytotoxicity is assessed in parallel using MTT or CellTiter-Glo assays to determine the selectivity index.
Animal Protocol
For in vivo efficacy studies, appropriate animal models of SARS-CoV infection would be used. SSAA09E2 would be administered via appropriate routes at various doses. Viral load in lung tissues would be measured by qRT-PCR, and histopathological analysis would assess lung inflammation and damage. Survival and body weight would be monitored. However, detailed in vivo protocols for SSAA09E2 have not been extensively reported.
ADME/Pharmacokinetics
Pharmacokinetic properties of SSAA09E2 have not been fully characterized in the available literature. The compound has a molecular formula of C16H20N4O2 and a molecular weight of 300.36. Purity is 98%+. It is a small molecule with potential for oral bioavailability. Comprehensive PK studies including bioavailability, half-life, protein binding, and tissue distribution are needed to fully understand its ADME properties.
Toxicity/Toxicokinetics
SSAA09E2 is a research compound intended for laboratory use only and is not approved for human therapeutic use. As a SARS-CoV replication inhibitor, it blocks the early interaction of SARS-S with ACE2. The compound has shown promise in preclinical studies for the treatment of various cancers. Standard laboratory safety precautions should be followed when handling this compound. Purity 98%+.
References

[1]. Viroinformatics approach to explore the inhibitory mechanism of existing drugs repurposed to fight against COVID-19. Eur J Pharmacol. 2020;885:173496.

Additional Infomation
Severe Acute Respiratory Syndrome Coronavirus Invasion Inhibitor; Structure See First Article
SSAA09E2 is a novel SARS-CoV replication inhibitor with molecular formula C16H20N4O2 and molecular weight 300.36. It blocks the early interaction of SARS-S with the ACE2 receptor, preventing viral entry. The compound is applied to study inhibition of viral entry pathways and has shown promise in cancer research. It is for research use only and has not been approved for clinical applications. Purity 98%+.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C16H20N4O2
Molecular Weight
300.3556
Exact Mass
300.158
CAS #
883944-52-3
PubChem CID
2738575
Appearance
White to light yellow solid powder
LogP
1.4
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
4
Heavy Atom Count
22
Complexity
363
Defined Atom Stereocenter Count
0
SMILES
O1C(=C([H])C([H])=N1)C(N([H])C([H])([H])C1C([H])=C([H])C(=C([H])C=1[H])N1C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])C1([H])[H])=O
InChi Key
OMRXBNSVRJWWAZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C16H20N4O2/c1-19-8-10-20(11-9-19)14-4-2-13(3-5-14)12-17-16(21)15-6-7-18-22-15/h2-7H,8-12H2,1H3,(H,17,21)
Chemical Name
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-1,2-oxazole-5-carboxamide
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: 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)
Solubility Data
Solubility (In Vitro)
DMSO : 125 mg/mL (416.17 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.08 mg/mL (6.93 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 (6.93 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.

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Solubility in Formulation 3: ≥ 2.08 mg/mL (6.93 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 3.3293 mL 16.6467 mL 33.2934 mL
5 mM 0.6659 mL 3.3293 mL 6.6587 mL
10 mM 0.3329 mL 1.6647 mL 3.3293 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.

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What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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