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Small Molecules & Compound Libraries
Signaling Pathways
Immunology/Inflammation
Toll-like Receptor (TLR)
N-cyclopentyl-N,N-dimethyl-3,4-bis(tetradecyloxy)-benzenemethanaminium, iodide , CAS No.1202208-36-3

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N-cyclopentyl-N,N-dimethyl-3,4-bis(tetradecyloxy)-benzenemethanaminium, iodide , CAS No.1202208-36-3

COA

Cas Number: 1202208-36-3
Molecular Weight: 756
PubChem CID: 25223004

In stock

Item Number

N343863

Grouped product items
SKU	Size	Availability	Price	Qty
N343863-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$52.90
N343863-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$216.90

View related series

Immunology/Inflammation (1929) Toll-like Receptor (TLR) (148)

Basic Description

Synonyms	MS-31339 \| CAY10614 \| N-{[3,4-BIS(TETRADECYLOXY)PHENYL]METHYL}-N,N-DIMETHYLCYCLOPENTANAMINIUM IODIDE \| AKOS040756392 \| SCHEMBL669749 \| cyclopentyl-[[3,4-di(tetradecoxy)phenyl]methyl]-dimethylazanium;iodide \| N-(3,4-Bis(tetradecyloxy)benzyl)-N,N-dimethylcy
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Lipid A is a lipid-rich component of endotoxin, also known as lipopolysaccharide (LPS), which in turn is part of the outer membrane of Gram-negative bacteria. Lipid A activates toll-like receptor 4 (TLR4), initiating an immune response. An antagonist of Lipid A activation of TLR4, exhibiting an IC50 value of 1.68 μM in a cell-based assay using modified human embryonic kidney (HEK) cells. It does not significantly affect HEK cell viability. In a model of sepsis, this chemical dramatically and significantly improves survival of mice given intraperitoneal LPS

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylmethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylmethylamines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylmethylamines
Alternative Parents	Phenoxy compounds Phenol ethers Benzylamines Aralkylamines Alkyl aryl ethers Tetraalkylammonium salts Organic zwitterions Organic iodide salts Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Tetraalkylammonium salt - Quaternary ammonium salt - Ether - Organic salt - Organic iodide salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic zwitterion - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Iap Intestinal alkaline phosphatase (419 Activities)

Discover Target: Iap

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	cyclopentyl-[[3,4-di(tetradecoxy)phenyl]methyl]-dimethylazanium;iodide
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
Smiles	CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C[N+](C)(C)C2CCCC2)OCCCCCCCCCCCCCC.[I-]
Isomeric SMILES	CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C[N+](C)(C)C2CCCC2)OCCCCCCCCCCCCCC.[I-]
PubChem CID	25223004
Molecular Weight	756

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	756.000 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	31
Exact Mass	755.508 Da
Monoisotopic Mass	755.508 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	630.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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