NIRAXOSTAT

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H17N3O3
Molecular Weight	299.3245
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)(C)COC1=C(C=C(C=C1)N2C=C(C=N2)C(O)=O)C#N

InChI

InChIKey=AETHRPHBGJAIBT-UHFFFAOYSA-N

InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula	C16H17N3O3
Molecular Weight	299.3245
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/15190124 | https://www.ncbi.nlm.nih.gov/pubmed/15571214 | http://adisinsight.springer.com/drugs/800010582

Y-700 (Niraxostat or 1-[3-Cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid) is an inhibitor of xanthine oxidoreductase. Y-700 demonstrated high oral bioavailability being predominantly eliminated via the liver. It potently reduces serum uric acid levels. Y-700 was in clinical trials for the treatment of gout.

CNS Activity

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Xanthine dehydrogenase 32 Target ID: CHEMBL1929 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15190124	Inhibitor 8297		0.6 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Amyotrophic lateral sclerosis 41 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27815397	Primary		Preclinical	Unknown Approved Use Unknown
Gout 28 Sources: https://www.ncbi.nlm.nih.gov/pubmed/15134605 http://adisinsight.springer.com/drugs/800010582	Primary		Phase II 1132	Unknown Approved Use Unknown

C_max

Value	Dose	Analyte	Population
5.54 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
0.92 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
0.24 μg/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	5 mg single, oral dose: 5 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

AUC

Value	Dose	Analyte	Population
106.3 μg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
16.6 μg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
5.5 μg × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	5 mg single, oral dose: 5 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

T_1/2

Value	Dose	Analyte	Population
27.6 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	80 mg single, oral dose: 80 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
29.8 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	20 mg single, oral dose: 20 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN
40.2 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15571214	5 mg single, oral dose: 5 mg route of administration: Oral experiment type: SINGLE co-administered:	NIRAXOSTAT plasma	Homo sapiens population: HEALTHY age: ADULT sex: MALE food status: UNKNOWN

Sourcing

Vendor/Aggregator	ID	URL
Alfa Chemistry	ACM206884982	http://www.alfa-chemistry.com/search.aspx?q=ACM206884982
Axon MedChem	1174	https://www.axonmedchem.com/product/1174
BOC Sciences	206884-98-2	http://www.bocsci.com/description.asp?cas=206884-98-2
MolPort	MolPort-005-943-250	https://www.molport.com/shop/molecule-link/MolPort-005-943-250
eMolecules	36366974	https://orderbb.emolecules.com/search/#?query=36366974

PubMed

Title	Date	PubMed
Serum uric acid-lowering therapies: where are we heading in management of hyperuricemia and the potential role of uricase.	2004 Jun	15134605
Carrier-mediated hepatic uptake of a novel nonrenal excretion type uric acid generation inhibitor, Y-700.	2006 Feb	16369928
Urinary L-type fatty acid-binding protein can reflect renal tubulointerstitial injury.	2009 Apr	19264908

Patents

Sample Use Guides

In Vivo Use Guide

A single oral dosing of Y-700 (5, 20 or 80 mg) to volunteers caused a dose-dependent reduction of serum uric acid levels indicating close relationship to plasma concentrations of the compound.

Route of Administration: Oral

In Vitro Use Guide

Unknown

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:18:40 GMT 2023` Edited by `admin` on `Fri Dec 15 17:18:40 GMT 2023`
Record UNII	246FR6022S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIRAXOSTAT

Official Name

English

niraxostat [INN]

Common Name

English

Y-700

Code

English

1-(3-CYANO-4-(2,2-DIMETHYLPROPOXY)PHENYL)-1H-PYRAZOLE-4-CARBOXYLIC ACID

Systematic Name

English

PIRAXOSTAT

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1637