| Identification | Back Directory | [Name]
Neoseptin 3 | [CAS]
1622863-21-1 | [Synonyms]
Neoseptin 3
Neoseptin-3 >=98% (HPLC)
tert-butyl (2S)-2-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoate
Benzenebutanoic acid, α-[[4-amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-, 1,1-dimethylethyl ester, (αS)- | [Molecular Formula]
C29H34N2O4 | [MOL File]
1622863-21-1.mol | [Molecular Weight]
474.6 |
| Chemical Properties | Back Directory | [Boiling point ]
663.9±55.0 °C(Predicted) | [density ]
1.174±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: ≥ 100 mg/mL (210.71 mM) | [form ]
Solid | [pka]
10.05±0.15(Predicted) | [color ]
White to off-white | [Optical Rotation]
[α]/D 37 to 45°, c =0.1 in chloroform | [InChIKey]
OACODUCFPHHCIH-SANMLTNESA-N | [SMILES]
NC1=CC=C(C(N[C@@H](CCC2=CC=CC=C2)C(OC(C)(C)C)=O)=O)C=C1CCC3=CC=C(O)C=C3 |
| Hazard Information | Back Directory | [Uses]
Neoseptin 3 is a Toll-like receptor 4/myeloid differentiation factor 2 (mTLR4/MD-2) agonist with an EC50 of 18.5 μM. | [Biological Activity]
Neoseptin-3 is a highly efficacious and specific agonist of the mouse TLR4 (mTLR4)/myeloid differentiation factor 2 (MD-2) complex. Neoseptin-3 binds to MD2changes the conformation of MD-2 and facilitates active TLR4/MD-2 dimer formation. Neoseptin-3 exhibits no structural similarity to lipid A. ''Neoseptin-3 stimulates the activity of mouse TLR4 (mTLR4)/myeloid differentiation factor 2 (mTLR) independently of CD14 (cluster of differentiation 14). This activated mTLR4/ mTLR promotes canonical myeloid differentiation primary response gene 88 (MyD88) and toll-interleukin(IL) 1 receptor (TIR) domain-containing adaptor inducing interferon (IFN)-β (TRIF)-dependent signaling. In additionneoseptin-3 also stimulates tumor necrosis factor α (TNF-α)IL-6 and IFNβ production in a dose-dependent manner. | [IC 50]
TLR4: 18.5 μM (EC50) | [References]
[1] Wang Y, et al. TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc Natl Acad Sci U S A. 2016 Feb 16;113(7):E884-93. DOI:10.1073/pnas.1525639113 |
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| Company Name: |
Energy Chemical
|
| Tel: |
021-58432009 400-005-6266 |
| Website: |
http://www.energy-chemical.com |
| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
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