APX-115 free base - Moligand™, ≥99% , CAS No.1270084-92-8

CAS: 1270084-92-8 Cat. No.: A412540 Peso molecular: 279.34

GRADE & PURITY Moligand™, ≥99%

Synonyms

1-(pyridin-2-yl)-3-phenyl-4-propyl-1H-pyrazol-5-ol | 1H-Pyrazol-5-ol, 3-phenyl-4-propyl-1-(2-pyridinyl)- | APX115;APX 115;Ewha-18278;Ewha18278 | S0777 | Isuzinaxib | EWHA-18278 (free base) | APX-115 free base | 3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazo

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

APX-115 free base (Ewha-18278 free base) is a potent, orally active inhibitor ofpan NADPH oxidase (pan-Nox)with Ki of 1.08 μM, 0.57 μM, and 0.63 μM for Nox1, Nox2 and Nox4, respectively. APX-115 free base (Ewha-18278 free base) significantly suppresses the expression of inflammatory molecules includingMCP-1/CCL2,IL-6, andTNFαin the diabetic kidney.

Targets

MCP-1/CCL2 ; IL-6 ; TNFα ; NOX2 (Cell-free assay); NOX4 (Cell-free assay) 33094,; 0.57 μM(Ki); 0.63 μM(Ki)

Specifications

Sinónimos

1-(pyridin-2-yl)-3-phenyl-4-propyl-1H-pyrazol-5-ol | 1H-Pyrazol-5-ol, 3-phenyl-4-propyl-1-(2-pyridinyl)- | APX115;APX 115;Ewha-18278;Ewha18278 | S0777 | Isuzinaxib | EWHA-18278 (free base) | APX-115 free base | 3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazo

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

APX-115 free base (Ewha-18278 free base) is a potent, orally active inhibitor of pan NADPH oxidase (pan-Nox) with Ki of 1.08 μM, 0.57 μM, and 0.63 μM for Nox1, Nox2 and Nox4, respectively. APX-115 free base (Ewha-18278 free base) significantly suppresses

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥99%

Propiedades del producto

• ALogP: 2.994
• hba_count: 2
• Recuento HBD: 1
• Enlace rotable: 4

Nombres e identificadores

• Pubchem Sid: 504771005
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771005
• Sonrisas canónicas: CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3
• IUPAC Name: 5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
• InChIKey: GIWZEELPLKPYBA-UHFFFAOYSA-N
• INCHI: 1S/C17H17N3O/c1-2-8-14-16(13-9-4-3-5-10-13)19-20(17(14)21)15-11-6-7-12-18-15/h3-7,9-12,19H,2,8H2,1H3
• Isómeros SMILES: CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3
• Peso molecular: 279.34
• Reaxy-Rn: 35937839
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35937839&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyrazolylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolylpyridines
• Alternative Parents: Phenylpyrazoles Pyrazolones Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpyrazole - 2-pyrazolylpyridine - Monocyclic benzene moiety - Pyrazolinone - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Vinylogous amide - Lactam - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolylpyridines. These are compounds containing a pyrazolylpyridine skeleton, which consists of a pyrazole linked (not fused) to a pyridine by a 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 56 mg/mL (200.47 mM); Ethanol: 56 mg/mL (200.47 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 56
• DMSO (mM) Solubilidad máxima: 200.472542421422
• Agua (mg/ml) Solubilidad máxima: ＜1
• Peso molecular: 279.340 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 279.137 Da
• Monoisotopic Mass: 279.137 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 412.000
• 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