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

CAS: 1270084-92-8 Cat. No.: A412540 Fórmula: C₁₇H₁₇N₃O 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

Visão geral

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

Especificações e pureza

Moligand™, ≥99%

Mecanismos bioquímicos e 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

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.

Grau

Moligand™

Pureza

≥99%

Propriedades do produto

ALogP

2.994

hba_count

2

Contagem HBD

1

Ligação rotativa

4

Nomes e identificadores

Pubchem Sid

504771005

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771005

Sorrisos canónicos

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

SMILES isoméricas

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
    • Classe Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solubility (25°C) In vitro DMSO: 56 mg/mL (200.47 mM); Ethanol: 56 mg/mL (200.47 mM); Water: Insoluble
• DMSO (mg/mL) Solubilidade máxima: 56
• DMSO (mM) Solubilidade máxima: 200.472542421422
• Água (mg/mL) Solubilidade 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