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SML1686

Neoseptin-3

≥98% (HPLC)

Synonym(s):

(αS)-α-[[4-Amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-benzenebutanoic acid 1,1-dimethylethyl ester

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About This Item

Empirical Formula (Hill Notation):
C29H34N2O4
CAS Number:
1622863-21-1
Molecular Weight:
474.59
UNSPSC Code:
12352200
PubChem Substance ID:
329826015
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
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Quality Segment

assay

≥98% (HPLC)

form

powder

optical activity

[α]/D 37 to 45°, c = 0.1 in chloroform

color

white to beige

solubility

DMSO: 15 mg/mL, clear

storage temp.

−20°C

SMILES string

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

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

InChI key

OACODUCFPHHCIH-SANMLTNESA-N

Biochem/physiol Actions

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 addition, neoseptin-3 also stimulates tumor necrosis factor α (TNF-α), IL-6 and IFNβ production in a dose-dependent manner.
Highly efficacious and specific agonist of mouse TLR4/MD-2
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 MD2, changes the conformation of MD-2 and facilitates active TLR4/MD-2 dimer formation. Neoseptin-3 exhibits no structural similarity to lipid A.

Hazard Codes

H413

Precautionary Statements

P273 - P501

Hazard Classifications

Aquatic Chronic 4

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

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