| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg | |||
| 25mg | |||
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| 100mg | |||
| Other Sizes |
| Targets |
Neoseptin-3 targets the mouse Toll-like receptor 4/myeloid differentiation factor 2 complex. It acts as an agonist, activating TLR4 signaling. By binding to mTLR4/MD-2, it triggers downstream signaling pathways, including MAPK and NF-κB signaling. It does not activate human TLR4/MD-2.
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| ln Vitro |
Neoseptin 3 possesses an EC50 of 18.5 μM, making it an agonist of Toll-like receptor 4/myeloid differentiation factor 2 (mTLR4/MD-2). Macrophages produce TNFα in response to neoseptin-3, and this response is concentration-dependent. In accordance with the activation of MAPK and classical NF-κB signaling, neoseptin-3 causes the phosphorylation of IκB kinases α (IKKα), IKKβ, p38, c-Jun N-terminal kinase (JNK), and ERK, as well as the degradation of IκBα. Neoseptin-3 also causes an increase in the phosphorylation of IRF3 and TANK-binding kinase 1 (TBK1)[1].
Neoseptin-3 is an agonist of mTLR4/MD-2 with an EC50 of 18.5 μM. Macrophages produce TNFα in response to Neoseptin-3 in a concentration-dependent manner. In accordance with the activation of MAPK and classical NF-κB signaling, Neoseptin-3 causes the phosphorylation of IKKα, IKKβ, p38, JNK, and ERK, as well as the degradation of IκBα. It also causes an increase in the phosphorylation of IRF3 and TBK1. |
| ln Vivo |
Neoseptin-3 is a synthetic small molecule TLR4-MD-2 agonist that induces TNFα expression in mouse macrophages. It has been used as a research tool to study TLR4 signaling. It does not activate human TLR4/MD-2, making it a species-specific agonist.
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| Enzyme Assay |
HEK293T cells are transfected with an NF-κB-dependent luciferase reporter plasmid and clones with stable expression are selected by culture in DMEM containing puromycin. Cells are cotransfected with constructs for mouse or human TLR4 plus mouse or human MD-2, and 2 d later are stimulated with 50 μM Neoseptin-3 or 1 μg/mL LPS for 6 h. Cells are lysed, and luciferase activity is measured[1]. |
| Cell Assay |
Cells are seeded onto 96-well plates at 1×105 cells per well and stimulated with Neoseptin-3 [dissolved in DMSO; final DMSO concentrations (≤0.2%) are kept constant in all experiments] for 4 h. Mouse TNFα, IL-6, or IFN-β, or human TNFα in the supernatants are measured by ELISA kits according to the manufacturer’s instructions. Unless otherwise indicated, mouse cells are from wild-type C57BL/6J mice[1]. |
| Animal Protocol |
Neoseptin-3 is administered in mouse models to evaluate its effects on TLR4 signaling and immune responses. However, specific animal study protocols are not extensively documented. The compound is typically formulated for in vivo administration using DMSO or other suitable vehicles.
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| ADME/Pharmacokinetics |
Neoseptin-3 has a molecular weight of 474.59 and a molecular formula of C29H34N2O4. It has a CAS number of 1622863-21-1. The compound is a white to off-white solid powder with a purity of ≥98%. It has a LogP of 5.6. It should be stored under recommended conditions.
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| Toxicity/Toxicokinetics |
No detailed toxicity data is available for Neoseptin-3. The compound is for research use only and is not intended for human therapeutic use.
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| References | |
| Additional Infomation |
Neoseptin-3 is a novel and potent agonist of mouse TLR4/MD-2. It has a CAS number of 1622863-21-1. It is a synthetic small molecule that activates TLR4 signaling and induces TNFα production by macrophages. It does not activate human TLR4/MD-2. The compound is for research use only and has not been approved for clinical use.
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| Molecular Formula |
C29H34N2O4
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|---|---|
| Molecular Weight |
474.591268062592
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| Exact Mass |
474.251
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| CAS # |
1622863-21-1
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| PubChem CID |
77461013
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| Appearance |
White to off-white solid powder
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| LogP |
5.6
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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 |
11
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| Heavy Atom Count |
35
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| Complexity |
662
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C(C1C=CC(N)=C(CCC2C=CC(O)=CC=2)C=1)(=O)N[C@H](C(=O)OC(C)(C)C)CCC1C=CC=CC=1
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| InChi Key |
OACODUCFPHHCIH-SANMLTNESA-N
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| InChi Code |
InChI=1S/C29H34N2O4/c1-29(2,3)35-28(34)26(18-12-20-7-5-4-6-8-20)31-27(33)23-14-17-25(30)22(19-23)13-9-21-10-15-24(32)16-11-21/h4-8,10-11,14-17,19,26,32H,9,12-13,18,30H2,1-3H3,(H,31,33)/t26-/m0/s1
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| Chemical Name |
tert-butyl (2S)-2-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoate
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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 : ≥ 100 mg/mL (~210.71 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.27 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 (5.27 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 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 (5.27 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 | 2.1071 mL | 10.5354 mL | 21.0708 mL | |
| 5 mM | 0.4214 mL | 2.1071 mL | 4.2142 mL | |
| 10 mM | 0.2107 mL | 1.0535 mL | 2.1071 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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