Eritoran

CAT: 0931-T73652-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T73652-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

185955-34-4

Target

Others, TLR, Antifection

Related Pathways

Immunology/Inflammation, Microbiology/Virology, Others

Bioactivity

Eritoran, a Toll-like receptor 4 (TLR4) antagonist, effectively protects mice from lethal infections caused by viruses such as the Ebola virus (EBOV) and Marburg virus (MARV) . By decreasing granulocytosis levels, Eritoran may reduce the severity of cytokine storms, thereby inhibiting the pathogenesis of filovirus infections [1].

Smiles

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

Molecular Formula

C66H126N2O19P2

Molecular Weight

1313.66

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Eritoran

Eritoran is a lipid A derivative used for the treatment of severe sepsis. It is a conjugate acid of an eritoran(4-).

CAS Number	185955-34-4
PubChem CID	6912404
IUPAC Name	[(2R,3R,4R,5S,6R)-4-decoxy-5-hydroxy-6-[[(2R,3R,4R,5S,6R)-4-[(3R)-3-methoxydecoxy]-6-(methoxymethyl)-3-[[(Z)-octadec-11-enoyl]amino]-5-phosphonooxyoxan-2-yl]oxymethyl]-3-(3-oxotetradecanoylamino)oxan-2-yl] dihydrogen phosphate
Molecular Formula	C66H126N2O19P2
Molecular Weight	1313.7
XLogP	15.4
Topological Polar Surface Area	294
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	59
Heavy Atom Count	89
Formal Charge	0
Complexity	1900

SMILES

CCCCCCCCCCCC(=O)CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1OP(=O)(O)O)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC)OP(=O)(O)O)OCC[C@@H](CCCCCCC)OC)NC(=O)CCCCCCCCC/C=C\CCCCCC)O)OCCCCCCCCCC

InChI

InChI=1S/C66H126N2O19P2/c1-7-11-15-19-22-25-26-27-28-29-30-32-34-38-42-46-57(70)67-60-64(82-49-47-54(80-6)45-41-36-18-14-10-4)62(86-88(73,74)75)56(51-79-5)85-65(60)83-52-55-61(72)63(81-48-43-39-35-24-21-17-13-9-3)59(66(84-55)87-89(76,77)78)68-58(71)50-53(69)44-40-37-33-31-23-20-16-12-8-2/h25-26,54-56,59-66,72H,7-24,27-52H2,1-6H3,(H,67,70)(H,68,71)(H2,73,74,75)(H2,76,77,78)/b26-25-/t54-,55-,56-,59-,60-,61-,62-,63-,64-,65-,66-/m1/s1

InChIKey

BPSMYQFMCXXNPC-MFCPCZTFSA-N

Chemical Structure

2D Structure

CAS: 185955-34-4

CID: 6912404

Formula: C66H126N2O19P2

MW: 1313.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1313.7
XLogP3	15.4
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	59
Exact Mass	1312.84300379
Monoisotopic Mass	1312.84300379
Topological Polar Surface Area	294 Å²
Heavy Atom Count	89
Formal Charge	0
Complexity	1900
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS5815746	Eritoran
GTR19197672	Eritoran Tetrasodium
HY-105070A	Eritoran (tetrasodium)

Eritoran

Chemical Information

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