IAXO-102 - ≥98% , CAS No.1115270-63-7

CAS: 1115270-63-7 Cat. No.: I412111 Fórmula: C₃₅H₇₁NO₅ Peso molecular: 585.94 PubChem CID: 25222900

GRADE & PURITY ≥98%

Synonyms

α-​D-​Glucopyranoside,methyl 6-​amino-​6-​deoxy-​2,​3-​di-​O-​tetradecyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Product description：

IAXO-102 is an antagonist of TLR4 targeting both MD-2 and CD14 co-receptors. IAXO-102 inhibits MAPK and p65 NF-κB phosphorylation and downregulates the expression of TLR4 dependent proinflammatory proteins. IAXO-102 inhibits experimental abdominal aortic aneurysm (AAA) development.

Targets

TLR4 ; MAPK ; NF-κB

Specifications

Sinónimos

α-​D-​Glucopyranoside,methyl 6-​amino-​6-​deoxy-​2,​3-​di-​O-​tetradecyl-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

IAXO-102 is an antagonist of TLR4 targeting both MD-2 and CD14 co-receptors. IAXO-102 inhibits MAPK and p65 NF-κB phosphorylation and downregulates the expression of TLR4 dependent proinflammatory proteins. IAXO-102 inhibits experimental abdominal aortic

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ANTAGONIST

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528764848

Sorrisos canónicos

CCCCCCCCCCCCCCOC1C(C(OC(C1OCCCCCCCCCCCCCC)OC)CN)O

IUPAC Name

(2R,3R,4S,5R,6S)-2-(aminomethyl)-6-methoxy-4,5-di(tetradecoxy)oxan-3-ol

InChIKey

DJVFNDPRLMVKKO-KJQSSVQNSA-N

INCHI

1S/C35H71NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-39-33-32(37)31(30-36)41-35(38-3)34(33)40-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h31-35,37H,4-30,36H2,1-3H3/t31-,32-,33+,34-,35+/m1/s1

SMILES isoméricas

CCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OCCCCCCCCCCCCCC)OC)CN)O

PubChem CID

25222900

Peso molecular

585.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Glycosyl compounds
          • Level6 O-glycosyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Glycosyl compounds
• Direct Parent: O-glycosyl compounds
• Alternative Parents: Aminosaccharides Oxanes Monosaccharides Secondary alcohols Oxacyclic compounds Dialkyl ethers Acetals Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: O-glycosyl compound - Amino saccharide - Monosaccharide - Oxane - Secondary alcohol - Acetal - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Hydrocarbon derivative - Primary amine - Amine - Alcohol - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.
• 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

Alvos associados (não humanos)

Iap Intestinal alkaline phosphatase (419 Activities)

Discover Target: Iap

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro Ethanol: 100 mg/mL (170.66 mM); DMSO: 15 mg/mL (25.59 mM); Water: Insoluble
• Peso molecular: 585.900 g/mol
• XLogP3: 12.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 30
• Exact Mass: 585.533 Da
• Monoisotopic Mass: 585.533 Da
• Topological Polar Surface Area: 83.200 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 537.000
• 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