E 5531 | CAS#162679-36-9 | Lipopolysaccharide antagonist

MedKoo Cat#: 463219 | Name: E 5531

Description:

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

E 5531 is a novel synthetic lipopolysaccharide antagonist.

Chemical Structure

E 5531

CAS#162679-36-9 (free)

Theoretical Analysis

MedKoo Cat#: 463219

Name: E 5531

CAS#: 162679-36-9 (free)

Chemical Formula: C73H136N2O22P2

Exact Mass: 1454.9060

Molecular Weight: 1455.83

Elemental Analysis: C, 60.23; H, 9.42; N, 1.92; O, 24.18; P, 4.26

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

162679-36-9 (free); 151663-12-6 (tetrasodium)

Synonym

E 5531; E-5531; E5531;

IUPAC/Chemical Name

(R)-1-(((2R,3R,4R,5S,6R)-2-(((2R,3S,4R,5R,6R)-3-hydroxy-4-(((R)-3-hydroxydecyl)oxy)-5-(3-oxotetradecanamido)-6-(phosphonooxy)tetrahydro-2H-pyran-2-yl)methoxy)-6-(methoxymethyl)-3-(3-oxotetradecanamido)-5-(phosphonooxy)tetrahydro-2H-pyran-4-yl)oxy)decan-3-yl (Z)-dodec-5-enoate

InChi Key

GDODKYPBSZCPOO-XFMGTHRKSA-N

InChi Code

InChI=1S/C73H136N2O22P2/c1-7-12-17-22-25-28-31-36-40-45-58(77)53-63(79)74-66-70(90-51-49-57(76)44-39-34-20-15-10-4)68(82)61(94-73(66)97-99(86,87)88)56-92-72-67(75-64(80)54-59(78)46-41-37-32-29-26-23-18-13-8-2)71(69(96-98(83,84)85)62(95-72)55-89-6)91-52-50-60(47-42-35-21-16-11-5)93-65(81)48-43-38-33-30-27-24-19-14-9-3/h30,33,57,60-62,66-73,76,82H,7-29,31-32,34-56H2,1-6H3,(H,74,79)(H,75,80)(H2,83,84,85)(H2,86,87,88)/b33-30-/t57-,60-,61-,62-,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1

SMILES Code

CCCCCCCCCCCC(CC(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1OCC[C@@H](CCCCCCC)O)O)CO[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2NC(CC(CCCCCCCCCCC)=O)=O)OCC[C@H](OC(CCC/C=C\CCCCCC)=O)CCCCCCC)OP(O)(O)=O)COC)OP(O)(O)=O)=O)=O

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

>3 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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,455.83 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.

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

1: Kawata T, Bristol JR, Rossignol DP, Rose JR, Kobayashi S, Yokohama H, Ishibashi A, Christ WJ, Katayama K, Yamatsu I, Kishi Y. E5531, a synthetic non- toxic lipid A derivative blocks the immunobiological activities of lipopolysaccharide. Br J Pharmacol. 1999 Jun;127(4):853-62. doi: 10.1038/sj.bjp.0702596. PMID: 10433491; PMCID: PMC1566082.