CRX-555 - Moligand™ , Agonist of TLR4, CAS No.C609607, Agonist of TLR4

CAS: C609607 Cat. No.: C609607 PubChem CID: 87596969

GRADE & PURITY Moligand™

Synonyms

CRX555;N-[(3R)-3-(Octanoyloxy)myristoyl]-O-[2-[[(3R)-3-(octanoyloxy)myristoyl]amino]-3-O-[(3R)-3-(octanoyloxy)myristoyl]-4-O-phosphono-2-deoxy-beta-D-glucopyranosyl]-L-serine

Storage

Room temperature

Specifications

Synonymes

CRX555;N-[(3R)-3-(Octanoyloxy)myristoyl]-O-[2-[[(3R)-3-(octanoyloxy)myristoyl]amino]-3-O-[(3R)-3-(octanoyloxy)myristoyl]-4-O-phosphono-2-deoxy-beta-D-glucopyranosyl]-L-serine

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of TLR4

Noms et identifiants

Sourires canoniques

CCCCCCCCCCC[C@H](CC(=O)N[C@H]1[C@H](OC[C@@H](C(=O)O)NC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)O[C@@H]([C@H]([C@@H]1OC(=O)C[C@H](OC(=O)CCCCCCC)CCCCCCCCCCC)OP(=O)(O)O)CO)OC(=O)CCCCCCC

IUPAC Name

(2S)-3-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-3-[[(3R)-3-octanoyloxytetradecanoyl]amino]-4-[(3R)-3-octanoyloxytetradecanoyl]oxy-5-phosphonooxyoxan-2-yl]oxy-2-[[(3R)-3-octanoyloxytetradecanoyl]amino]propanoic acid

InChIKey

WNFNQTGQGFHQLU-NRBIUWCVSA-N

INCHI

1S/C75H139N2O19P/c1-7-13-19-25-28-31-34-40-43-49-60(91-67(81)52-46-37-22-16-10-4)55-65(79)76-63(74(85)86)59-90-75-71(77-66(80)56-61(92-68(82)53-47-38-23-17-11-5)50-44-41-35-32-29-26-20-14-8-2)73(72(64(58-78)94-75)96-97(87,88)89)95-70(84)57-62(93-69(83)54-48-39-24-18-12-6)51-45-42-36-33-30-27-21-15-9-3/h60-64,71-73,75,78H,7-59H2,1-6H3,(H,76,79)(H,77,80)(H,85,86)(H2,87,88,89)/t60-,61-,62-,63+,64-,71-,72-,73-,75-/m1/s1

Isomères 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)OC(=O)CCCCCCC)CO)OP(=O)(O)O)OC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCC)OC(=O)CCCCCCC

PubChem CID

87596969

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Amino sugars
• Direct Parent: Acylaminosugars
• Alternative Parents: Saccharolipids Hexose phosphates Pentacarboxylic acids and derivatives Fatty acyl glycosides of mono- and disaccharides N-acyl-alpha-hexosamines N-acyl-L-alpha-amino acids O-glycosyl compounds Monosaccharide phosphates Fatty acid esters Monoalkyl phosphates Oxanes N-acyl amines Secondary carboxylic acid amides Carboxylic acid esters Acetals Oxacyclic compounds Carboxylic acids Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Primary alcohols Organonitrogen compounds Organic oxides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Acylaminosugar - Saccharolipid - Hexose phosphate - Pentacarboxylic acid or derivatives - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - N-acyl-alpha-hexosamine - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Alpha-amino acid or derivatives - Monosaccharide phosphate - Fatty acid ester - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Oxane - Fatty amide - Alkyl phosphate - N-acyl-amine - Monosaccharide - Fatty acyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Acetal - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Primary alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen 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

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