Paquinimod(ABR 25757) - Moligand™,≥99% , CAS No.248282-01-1

CAS: 248282-01-1 Cat. No.: P647576 Formule: C₂₁H₂₂N₂O₃ Poids moléculaire: 350.41 Numéro CE: 607-446-0

GRADE & PURITY Moligand™, ≥99%

Synonyms

T0143 | DTXSID90179537 | ABR?215757 | BCP29381 | ABR25757 | ABR-25757 | C74280 | DB13118 | Paquinimod [INN] | SCHEMBL1573633 | N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide | DIKSYHCCYVYKRO-UHFFFAOYSA-N | EX-A2923 | ABR-215757 | 3-M

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Paquinimod (ABR 25757) is a specific and orally active inhibitor of S100A8/S100A9 . Paquinimod rescues the pneumonia with substantial reduction of viral loads in SARS-CoV-2-infected mice

In Vivo

S100A9 is a calcium-binding protein of the S100 family. Paquinimod is an immunomodulatory compound preventing S100A9 binding to TLR-4. Prophylactic treatment with S100A9 inhibitor Paquinimod reduces pathology in experimental collagenase-induced osteoarthritis . Paquinimod is a potent inhibitor of insulitis and diabetes development in the NOD mouse. To assess the preventive efficacy of Paquinimod on diabetes development in female NOD mice, groups of mice are treated with daily doses of 0.04, 0.2, 1, and 5 mg/kg/day of Paquinimod from week 10 of age until week 20 of age. Glycosuria is analyzed on a weekly basis from 10 weeks of age until the endpoint of the experiment at 40 weeks of age. There is a clear dose-dependent reduction in diabetes development in the Paquinimod-treated mice. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Animal administration

Mice Female NOD/MrkTac mice are exposed to increasing concentration of CO 2 and upon loss of consciousness euthanized by cervical dislocation. To investigate the effect of the Q-compound Paquinimod on development of glycosuria and insulitis, mice are treated with Paquinimod dissolved in drinking water at different concentrations corresponding to daily doses of about 0.04, 0.2, 1, and 5 mg/kg body weight/day ). The mice are treated with Paquinimod starting from either 10 or 15 weeks of age. The duration of treatment varies from 5 to 23 weeks in the different experiments performed . aladdin has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:S100A9

Specifications

Synonymes

T0143 | DTXSID90179537 | ABR?215757 | BCP29381 | ABR25757 | ABR-25757 | C74280 | DB13118 | Paquinimod [INN] | SCHEMBL1573633 | N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide | DIKSYHCCYVYKRO-UHFFFAOYSA-N | EX-A2923 | ABR-215757 | 3-M

Spécifications et pureté

Moligand™,≥99%

Mécanismes biochimiques et physiologiques

Paquinimod (ABR-215757) is a quinoline-3-carboxamide (Q substance) class immunomodulator that targets S100A9 (Calgranulin B; MRP14) via direct binding and blocks its interaction with receptor for advanced glycation end products (RAGE) and Toll-like recept

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: CCC1=C2C(=CC=C1)N(C(=O)C(=C2O)C(=O)N(CC)C3=CC=CC=C3)C
• IUPAC Name: N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
• InChIKey: DIKSYHCCYVYKRO-UHFFFAOYSA-N
• INCHI: 1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3
• Isomères SMILES: CCC1=C2C(=CC=C1)N(C(=O)C(=C2O)C(=O)N(CC)C3=CC=CC=C3)C
• CAS alternatif: 248282-01-1
• Termes d'entrée MeSH: ABR-215757;paquinimod
• Poids moléculaire: 350.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic anilides
• Alternative Parents: Quinoline-3-carboxamides Hydroquinolones Hydroxyquinolines Hydroquinolines Pyridinecarboxylic acids and derivatives Hydroxypyridines Pyridinones Tertiary carboxylic acid amides Vinylogous acids Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aromatic anilide - Quinoline-3-carboxamide - Dihydroquinolone - Hydroxyquinoline - Dihydroquinoline - Quinoline - Pyridine carboxylic acid or derivatives - Hydroxypyridine - Pyridinone - Pyridine - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous acid - Vinylogous amide - Lactam - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 62.5 mg/mL (178.36 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble)
• Poids moléculaire: 350.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 350.163 Da
• Monoisotopic Mass: 350.163 Da
• Topological Polar Surface Area: 60.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 580.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Foire aux questions

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 248282-01-1, the molecular formula is C21H22N2O3, and the molecular weight is 350.41 g/mol. InChIKey DIKSYHCCYVYKRO-UHFFFAOYSA-N.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.