APX-115 free base - Moligand™, 10mM in DMSO , CAS No.1270084-92-8

CAS: 1270084-92-8 Cat. No.: A421116 Formule: C₁₇H₁₇N₃O Poids moléculaire: 279.34

GRADE & PURITY Moligand™, 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

Moligand™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Propriétés du produit

ALogP

2.994

hba_count

2

Nombre de HBD

1

Liaison rotative

4

Noms et identifiants

Pubchem Sid

528763116

Sourires canoniques

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

Isomères SMILES

CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 56
• DMSO (mM) Solubilité maximale: 200.472542421422
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 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