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

CAS: 1270084-92-8 Cat. No.: A412540 Summenformel: C₁₇H₁₇N₃O Molekulargewicht: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Reinheit

≥99%

Produkteigenschaften

• ALogP: 2.994
• hba_count: 2
• HBD-Zahl: 1
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 504771005
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771005
• Kanonisches Lächeln: 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
• Isomere SMILES: CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3
• Molekulargewicht: 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
    • Klasse Pyridines and derivatives
      • Subclass Pyrazolylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility (25°C) In vitro DMSO: 56 mg/mL (200.47 mM); Ethanol: 56 mg/mL (200.47 mM); Water: Insoluble
• DMSO (mg/ml) Maximale Löslichkeit: 56
• DMSO (mM) Maximale Löslichkeit: 200.472542421422
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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