Neoseptin-3
featured

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 525442

CAS#: 1622863-21-1

Description: Neoseptin-3 is a novel specific agonist of the mouse TLR4 (mTLR4)/myeloid differentiation factor 2 (MD-2) complex.

Chemical Structure

img
Neoseptin-3
CAS# 1622863-21-1
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 525442
Name: Neoseptin-3
CAS#: 1622863-21-1
Chemical Formula: C29H34N2O4
Exact Mass: 474.25
Molecular Weight: 474.601
Elemental Analysis: C, 73.39; H, 7.22; N, 5.90; O, 13.48

Price and Availability

Size Price Availability Quantity
5mg USD 240
25mg USD 610
Bulk inquiry

Synonym: Neoseptin-3

IUPAC/Chemical Name: (alphaS)-alpha-[[4-Amino-3-[2-(4-hydroxyphenyl)ethyl]benzoyl]amino]-benzenebutanoic acid tert-butyl ester

InChi Key: OACODUCFPHHCIH-SANMLTNESA-N

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

SMILES Code: O=C(OC(C)(C)C)[C@@H](NC(C1=CC=C(N)C(CCC2=CC=C(O)C=C2)=C1)=O)CCC3=CC=CC=C3

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: Neoseptin 3 is a Toll-like receptor 4/myeloid differentiation factor 2 (mTLR4/MD-2) agonist with an EC50 of 18.5 μM.
In vitro activity: Neoseptin-3 activates mTLR4/MD-2 independently of CD14 and triggers canonical myeloid differentiation primary response gene 88 (MyD88)- and Toll-interleukin 1 receptor (TIR) domain-containing adaptor inducing IFN-beta (TRIF)-dependent signaling. The crystal structure mTLR4/MD-2/Neoseptin-3 at 2.57-Å resolution reveals that Neoseptin-3 binds as an asymmetrical dimer within the hydrophobic pocket of MD-2, inducing an active receptor complex similar to that induced by lipid A. Reference: Proc Natl Acad Sci U S A. 2016 Feb 16;113(7):E884-93. https://pubmed.ncbi.nlm.nih.gov/26831104/
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 210.70

Preparing Stock Solutions

The following data is based on the product molecular weight 474.60 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: Wang Y, Su L, Morin MD, Jones BT, Whitby LR, Surakattula MM, Huang H, Shi H, Choi JH, Wang KW, Moresco EM, Berger M, Zhan X, Zhang H, Boger DL, Beutler B. 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. Epub 2016 Feb 1. Erratum in: Proc Natl Acad Sci U S A. 2016 Apr 5;113(14 ):E2096. Erratum in: Proc Natl Acad Sci U S A. 2021 Jun 15;118(24): PMID: 26831104; PMCID: PMC4763747.
In vitro protocol: Wang Y, Su L, Morin MD, Jones BT, Whitby LR, Surakattula MM, Huang H, Shi H, Choi JH, Wang KW, Moresco EM, Berger M, Zhan X, Zhang H, Boger DL, Beutler B. 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. Epub 2016 Feb 1. Erratum in: Proc Natl Acad Sci U S A. 2016 Apr 5;113(14 ):E2096. Erratum in: Proc Natl Acad Sci U S A. 2021 Jun 15;118(24): PMID: 26831104; PMCID: PMC4763747.
In vivo protocol: TBD

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Wang Y, Su L, Morin MD, Jones BT, Whitby LR, Surakattula MM, Huang H, Shi H, Choi JH, Wang KW, Moresco EM, Berger M, Zhan X, Zhang H, Boger DL, Beutler B. 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. Epub 2016 Feb 1. Erratum in: Proc Natl Acad Sci U S A. 2016 Apr 5;113(14 ):E2096. PubMed PMID: 26831104; PubMed Central PMCID: PMC4763747.