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

COA

Grade & Purity:

Moligand™

10mM in DMSO

Cas Number: 1270084-92-8
Molecular Weight: 279.34
PubChem CID: 51036475

In stock

Item Number

A421116

Grouped product items
SKU	Size	Availability	Price	Qty
A421116-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$121.90

TNF-α Selective Inhibitors | Activators | Antagonists

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Compound libraries (12325) Glucose Metabolism (1943)

Basic Description

Synonyms	APX-115 free base \| 1270084-92-8 \| Isuzinaxib \| 3-phenyl-4-propyl-1-(pyridin-2-yl)-1H-pyrazol-5-ol \| Isuzinaxib [INN] \| APX-115 (free base) \| EWHA-18278 free base \| YP664UDC7T \| 1-(pyridin-2-yl)-3-phenyl-4-propyl-1H-pyrazol-5-ol \| 3-Phenyl-4-propyl-1-(2-pyridinyl)-1H-pyraz
Specifications & Purity	Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms	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 Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Product Description	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)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyrazolylpyridines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
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

Product Properties

ALogP	2.994
hba_count	2
HBD Count	1
Rotatable Bond	4

Names and Identifiers

IUPAC Name	5-phenyl-4-propyl-2-pyridin-2-yl-1H-pyrazol-3-one
INCHI	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
InChIKey	GIWZEELPLKPYBA-UHFFFAOYSA-N
Smiles	CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3
Isomeric SMILES	CCCC1=C(NN(C1=O)C2=CC=CC=N2)C3=CC=CC=C3
Molecular Weight	279.34
Reaxy-Rn	35937839
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35937839&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

DMSO(mg / mL) Max Solubility	56
DMSO(mM) Max Solubility	200.472542421422
Water(mg / mL) Max Solubility	＜1
Molecular Weight	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 Å²
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

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