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IAXO-102

CAT: 0804-HY-125171-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-125171-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IAXO-102 is a TLR4 antagonist which negatively regulates TLR4 signalling. IAXO-102 inhibits MAPK and p65 NF-κB phosphorylation and expression of TLR4 dependent proinflammatory protein. IAXO-102 also prevents experimental abdominal aortic aneurysm development[1].
CAS Number
1115270-63-7
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Toll-like Receptor (TLR)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/IAXO-102.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 3.33 mg/mL (ultrasonic; warming; heat to 60°C) |Ethanol : 50 mg/mL (ultrasonic)
Smiles
CCCCCCCCCCCCCCO[C@@H]1[C@H]([C@@H]([C@@H](CN)O[C@@H]1OC)O)OCCCCCCCCCCCCCC
Molecular Formula
C35H71NO5
Molecular Weight
585.94
Precautions
H302, H315, H319, H335
References & Citations
[1]Huggins C, et al. A novel small molecule TLR4 antagonist (IAXO-102) negatively regulates non-hematopoietic toll like receptor 4 signalling and inhibits aortic aneurysms development. Atherosclerosis. 2015 Oct;242 (2) :563-70.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
TLR4

Chemical Information

(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
CAS Number1115270-63-7
PubChem CID25222900
IUPAC Name(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
Molecular FormulaC35H71NO5
Molecular Weight585.9
XLogP12.1
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count30
Heavy Atom Count41
Formal Charge0
Complexity537
SMILES
CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OCCCCCCCCCCCCCC)OC)CN)O
InChI
InChI=1S/C35H71NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-39-33-32(37)31(30-36)41-35(38-3)34(33)40-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h31-35,37H,4-30,36H2,1-3H3/t31-,32-,33+,34-,35+/m1/s1
InChIKey
DJVFNDPRLMVKKO-KJQSSVQNSA-N
Chemical Structure
2D Structure
2D structure of (2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol
CAS: 1115270-63-7
CID: 25222900
Formula: C35H71NO5
MW: 585.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight585.9
XLogP312.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count30
Exact Mass585.53322437
Monoisotopic Mass585.53322437
Topological Polar Surface Area83.2 Ų
Heavy Atom Count41
Formal Charge0
Complexity537
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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