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CAY10614

CAT: 0013-GTR19189965-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189965-01Size:1 mg
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Description
CAY10614 is a small molecule TLR4 antagonist that potently inhibits lipid A-induced TLR4 activation with an IC50 of 1.675 μM. It has demonstrated protective efficacy in vivo, improving survival in murine models of LPS-induced septic shock, making it a valuable research tool for studying TLR4-mediated inflammation.
CAS Number
1202208-36-3
Field of Research
Immunology & Inflammation
Smiles
[I-].CCCCCCCCCCCCCCOc1ccc (C[N+] (C) (C) C2CCCC2) cc1OCCCCCCCCCCCCCC
Molecular Formula
C42H78INO2
Molecular Weight
755.995
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-cyclopentyl-N,N-dimethyl-3,4-bis(tetradecyloxy)-benzenemethanaminium, iodide
CAS Number1202208-36-3
PubChem CID25223004
IUPAC Namecyclopentyl-[[3,4-di(tetradecoxy)phenyl]methyl]-dimethylazanium iodide
Molecular FormulaC42H78INO2
Molecular Weight756.0
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count31
Heavy Atom Count46
Formal Charge0
Complexity630
SMILES
CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C[N+](C)(C)C2CCCC2)OCCCCCCCCCCCCCC.[I-]
InChI
InChI=1S/C42H78NO2.HI/c1-5-7-9-11-13-15-17-19-21-23-25-29-35-44-41-34-33-39(38-43(3,4)40-31-27-28-32-40)37-42(41)45-36-30-26-24-22-20-18-16-14-12-10-8-6-2;/h33-34,37,40H,5-32,35-36,38H2,1-4H3;1H/q+1;/p-1
InChIKey
UXOPVNPWTUWUEA-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of N-cyclopentyl-N,N-dimethyl-3,4-bis(tetradecyloxy)-benzenemethanaminium, iodide
CAS: 1202208-36-3
CID: 25223004
Formula: C42H78INO2
MW: 756.0
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight756.0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count31
Exact Mass755.50773
Monoisotopic Mass755.50773
Topological Polar Surface Area18.5 Ų
Heavy Atom Count46
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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