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TLR4-IN-C34 - 10mM in DMSO, high purity , CAS No.40592-88-9
Basic Description
Synonyms
40592-88-9 | TLR4-IN-C34 | (2R,3S,4R,5R,6S)-5-Acetamido-2-(acetoxymethyl)-6-isopropoxytetrahydro-2H-pyran-3,4-diyl diacetate | C34 | [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-propan-2-yloxyoxan-2-yl]methyl acetate | CHEMBL4303607 | SCHEMBL24219925 | DTXSID0013366
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
TLR4-IN-C34 is a potent and specific inhibitor of toll-like receptor 4 (TLR4), which inhibits TLR4 signaling in vivo and in vitro. TLR4-IN-C34, also known as C34, is an aminomonosaccharide that inhibits TLR4 signaling by docking with the hydrophobic pocke
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Application
TLR4-IN-C34 has been used as an inhibitor in the HFD-feeding mice to verify the aforementioned in vitro pathway (stearic acid/LDH-a/cytokines) in vivo.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbohydrates and carbohydrate conjugates
Intermediate Tree Nodes
Aminosaccharides
Direct Parent
N-acyl-alpha-hexosamines
Alternative Parents
O-glycosyl compounds Tricarboxylic acids and derivatives Oxanes Monosaccharides Acetamides Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic heteromonocyclic compounds
Substituents
N-acyl-alpha-hexosamine - O-glycosyl compound - Glycosyl compound - Tricarboxylic acid or derivatives - Oxane - Monosaccharide - Acetamide - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyl-alpha-hexosamines. These are carbohydrate derivatives containing a hexose moiety in which the oxygen atom is replaced by an n-acyl group.
External Descriptors
Not available
Data sources
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.
Associated Targets(non-human)
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
[(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-propan-2-yloxyoxan-2-yl]methyl acetate
INCHI
InChI=1S/C17H27NO9/c1-8(2)24-17-14(18-9(3)19)16(26-12(6)22)15(25-11(5)21)13(27-17)7-23-10(4)20/h8,13-17H,7H2,1-6H3,(H,18,19)/t13-,14-,15-,16-,17+/m1/s1
InChIKey
KMIQMFHPUJUDMC-HHARLNAUSA-N
Smiles
CC(C)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
Isomeric SMILES
CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
WGK Germany
3
Molecular Weight
389.4
Reaxy-Rn
24004057
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24004057&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
389.400 g/mol
XLogP3
-0.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
10
Exact Mass
389.169 Da
Monoisotopic Mass
389.169 Da
Topological Polar Surface Area
126.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
563.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
5
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
1
Citations of This Product
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1 Citations