GSK1795091 - Moligand™ , Agonist of TLR4, CAS No.G610693, Agonist of TLR4

CAS: G610693 Cat. No.: G610693 PubChem CID: 25127152

GRADE & PURITY Moligand™

Synonyms

1233589-81-5 | compound 4 [PMID: 18835160] | HY-111792 | GTPL11150 | GSK'091 | (2S)-2-[[(3R)-3-decoxytetradecanoyl]amino]-3-[(2R,3R,4R,5S,6R)-3-[[(3R)-3-decoxytetradecanoyl]amino]-4-[(3R)-3-decoxytetradecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl

Storage

Room temperature

Specifications

Synonyms

1233589-81-5 | compound 4 [PMID: 18835160] | HY-111792 | GTPL11150 | GSK'091 | (2S)-2-[[(3R)-3-decoxytetradecanoyl]amino]-3-[(2R, 3R, 4R, 5S, 6R)-3-[[(3R)-3-decoxytetradecanoyl]amino]-4-[(3R)-3-decoxytetradecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TLR4

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OCCCCCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OCCCCCCCCCC
• InChIKey: ICLAYQQKWJGHBV-XJZMHMBSSA-N
• INCHI: 1S/C81H157N2O16P/c1-7-13-19-25-31-37-40-46-52-58-69(93-61-55-49-43-34-28-22-16-10-4)64-74(85)82-72(80(88)89)68-96-81-77(83-75(86)65-70(59-53-47-41-38-32-26-20-14-8-2)94-62-56-50-44-35-29-23-17-11-5)79(78(73(67-84)97-81)99-100(90,91)92)98-76(87)66-71(60-54-48-42-39-33-27-21-15-9-3)95-63-57-51-45-36-30-24-18-12-6/h69-73,77-79,81,84H,7-68H2,1-6H3,(H,82,85)(H,83,86)(H,88,89)(H2,90,91,92)/t69-,70-,71-,72+,73-,77-,78-,79-,81-/m1/s1
• Isomeric SMILES: CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(=O)O)NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCCCCCC)OCCCCCCCCCC
• PubChem CID: 25127152

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Amino sugars
            • Level7 Acylaminosugars

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Amino sugars
• Direct Parent: Acylaminosugars
• Alternative Parents: Saccharolipids Hexose phosphates Fatty acyl glycosides of mono- and disaccharides N-acyl-alpha-hexosamines N-acyl-L-alpha-amino acids O-glycosyl compounds Monosaccharide phosphates Sugar acids and derivatives Fatty acid esters Monoalkyl phosphates Dicarboxylic acids and derivatives Oxanes N-acyl amines Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Acetals Dialkyl ethers Carboxylic acids Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organonitrogen compounds Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Acylaminosugar - Saccharolipid - Hexose phosphate - N-acyl-alpha-hexosamine - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Monosaccharide phosphate - Alpha-amino acid or derivatives - Monoalkyl phosphate - Sugar acid - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Alkyl phosphate - Monosaccharide - N-acyl-amine - Phosphoric acid ester - Oxane - Organic phosphoric acid derivative - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Ether - Acetal - Dialkyl ether - Carboxylic acid - Alcohol - Organic oxide - Organopnictogen compound - Carbonyl group - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acylaminosugars. These are organic compounds containing a sugar linked to a chain through 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

Associated Targets(Human)

TLR4 Tchem Toll-like receptor 4 (0 Activities)

Discover Target: TLR4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TLR4 Tchem Toll-like receptor 4 (970 Activities)

Discover Target: TLR4

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

Associated Targets(non-human)

Listeria monocytogenes (2626 Activities)

Explore this target

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

Influenza A virus (11224 Activities)

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

Mechanisms of Action