TLR4-IN-C34 - ≥98% , CAS No.40592-88-9

CAS: 40592-88-9 Cat. No.: C288437 Formula: C₁₇H₂₇NO₉ Peso molecolare: 389.4

GRADE & PURITY ≥98%

Synonyms

C34 | TLR4-IN-C34 | AS-16470 | MFCD28053519 | AKOS025142101 | SCHEMBL24219925 | 1-Methylethyl 2-(acetylamino)-2-deoxy-?-D-glucopyranoside 3,4,6-triacetate | D82865 | AC-36437 | (2R,3S,4R,5R,6S)-5-Acetamido-2-(acetoxymethyl)-6-isopropoxytetrahydro-2H-pyran

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

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.

Specifications

Sinonimi

C34 | TLR4-IN-C34 | AS-16470 | MFCD28053519 | AKOS025142101 | SCHEMBL24219925 | 1-Methylethyl 2-(acetylamino)-2-deoxy-?-D-glucopyranoside 3,4,6-triacetate | D82865 | AC-36437 | (2R,3S,4R,5R,6S)-5-Acetamido-2-(acetoxymethyl)-6-isopropoxytetrahydro-2H-pyran

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 528763658
• Sorrisi canonici: CC(C)OC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C
• IUPAC Name: [(2R,3S,4R,5R,6S)-5-acetamido-3,4-diacetyloxy-6-propan-2-yloxyoxan-2-yl]methyl acetate
• InChIKey: KMIQMFHPUJUDMC-HHARLNAUSA-N
• 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
• Isomeri 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 Germania: 3
• Peso molecolare: 389.4
• Reaxy-Rn: 24004057
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24004057&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 N-acyl-alpha-hexosamines

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:water, Max Conc. mg/mL: 19.47, Max Conc. mM: 50; Solvent:DMSO, Max Conc. mg/mL: 38.94, Max Conc. mM: 100
• Peso molecolare: 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

Riferimenti

1. Feng Jia, Yongqing Wang, Zhiqiang Chen, Jingxian Jin, Lei Zeng, Li Zhang, Huaijian Tang, Yanyan Wang, Pei Fan.  (2025)  10-Hydroxydec-2-enoic acid reduces vascular smooth muscle cell inflammation via interacting with Toll-like receptor 4.  PHYTOMEDICINE,      [PMID:40054182] [10.1016/j.phymed.2025.156534]