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Endotoxin inhibitor

CAT: 0804-HY-P3912Size: 1 EachDry Ice: NoHazardous: No
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Description
Endotoxin inhibitor a synthetic peptide that binds lipid A with high affinity, thereby detoxifying LPS and preventing LPS-induced cytokine release in vivo. Endotoxin inhibitor inhibits the febrile response to LPS with very low toxicity and lethality[1].
CAS Number
147396-10-9
UNSPSC
12352209
Target
COX; Interleukin Related
Type
Peptides
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/endotoxin-inhibitor.html
Solubility
10 mM in DMSO
Smiles
O=C([C@@H](NC([C@H](CSSC[C@H](NC([C@@H](NC([C@@H](NC([C@@H](NC1=O)CC(C)C)=O)CCCCN)=O)CCCCN)=O)C(O)=O)NC([C@H](CCCCN)NC([C@H]([C@H](O)C)NC([C@@H](N)CCCCN)=O)=O)=O)=O)CCCCN)N[C@H]1CC2=CC=CC=C2
Molecular Formula
C55H97N15O12S2
Molecular Weight
1224.58
References & Citations
[1]Toshihiko Katafuchi, et al. Endotoxin inhibitor blocks heat exposure-induced expression of brain cytokine mRNA in aged rats. Brain Res Mol Brain Res. 2003 Oct 21;118 (1-2) :24-32.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Endotoxin inhibitor
CAS Number147396-10-9
PubChem CID11981190
IUPAC Name(4R,7S,10S,13S,16S,19S,22R)-7,10,19-tris(4-aminobutyl)-22-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-16-benzyl-13-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxylic acid
Molecular FormulaC55H97N15O12S2
Molecular Weight1224.6
XLogP-4.4
Topological Polar Surface Area526
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count20
Rotatable Bond Count32
Heavy Atom Count84
Formal Charge0
Complexity2050
SMILES
C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCCN)CC2=CC=CC=C2)CC(C)C)CCCCN)CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)N)O
InChI
InChI=1S/C55H97N15O12S2/c1-33(2)29-41-51(77)63-37(20-8-13-25-57)47(73)62-39(22-10-15-27-59)50(76)69-44(55(81)82)32-84-83-31-43(53(79)64-38(21-9-14-26-58)48(74)67-42(52(78)66-41)30-35-17-5-4-6-18-35)68-49(75)40(23-11-16-28-60)65-54(80)45(34(3)71)70-46(72)36(61)19-7-12-24-56/h4-6,17-18,33-34,36-45,71H,7-16,19-32,56-61H2,1-3H3,(H,62,73)(H,63,77)(H,64,79)(H,65,80)(H,66,78)(H,67,74)(H,68,75)(H,69,76)(H,70,72)(H,81,82)/t34-,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+/m1/s1
InChIKey
ZMJQAGFRHOLBKF-IYXJEWLDSA-N
Chemical Structure
2D Structure
2D structure of Endotoxin inhibitor
CAS: 147396-10-9
CID: 11981190
Formula: C55H97N15O12S2
MW: 1224.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1224.6
XLogP3-4.4
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count20
Rotatable Bond Count32
Exact Mass1223.68825594
Monoisotopic Mass1223.68825594
Topological Polar Surface Area526 Ų
Heavy Atom Count84
Formal Charge0
Complexity2050
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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