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PF-04859989 hydrochloride - 98% (HPLC), high purity , CAS No.177943-33-8

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 177943-33-8
Molecular Weight: 214.65
PubChem CID: 22868922

In stock

Item Number

P167978

Grouped product items
SKU	Size	Availability	Price	Qty
P167978-5mg	5mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$86.90
P167978-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$271.90

Discover PF-04859989 hydrochloride by Aladdin Scientific in 98% (HPLC) for only $86.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	(S)-3-Amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one hydrochloride \| (3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one;hydrochloride \| (S)-3-Amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-onehydrochloride \| PF 04859989 hydrochloride \| CS-0065524 \| PF-04859989 (h
Specifications & Purity	≥98%(HPLC)
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	PF-04859989 hydrochloride is a blood-brain barrier, irreversible kynurenine aminotransferase KAT II inhibitor, with IC50 of 23 and 263 nM for hKATⅡ and rKATⅡ, respectively. PF-04859989 hydrochloride is more selective for KATⅡ than human KATⅠ, KATⅢ and KATⅣ (IC50 is 22, 11 and >50 μM, respectively).

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives
    - Subclass Quinolones and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Quinolones and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Hydroxyquinolones
Alternative Parents	Hydroxyquinolines Hydroquinolones Aminoquinolines and derivatives Hydroquinolines Alpha amino acids and derivatives Aralkylamines Benzenoids Hydroxamic acids Azacyclic compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Hydroxyquinolone - Aminoquinoline - Tetrahydroquinolone - Hydroxyquinoline - Alpha-amino acid or derivatives - Tetrahydroquinoline - Aralkylamine - Benzenoid - Amino acid or derivatives - Hydroxamic acid - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hydroxyquinolones. These are compounds containing a quinoline moiety bearing a hydroxyl group and a ketone. Quinoline or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine.
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

Names and Identifiers

IUPAC Name	(3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one;hydrochloride
INCHI	InChI=1S/C9H10N2O2.ClH/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12;/h1-4,7,13H,5,10H2;1H/t7-;/m0./s1
InChIKey	WZOBDOKCHIUXAY-FJXQXJEOSA-N
Smiles	C1C(C(=O)N(C2=CC=CC=C21)O)N.Cl
Isomeric SMILES	C1[C@@H](C(=O)N(C2=CC=CC=C21)O)N.Cl
PubChem CID	22868922
Molecular Weight	214.65

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

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Analytical Chart:

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Lot Number	Certificate Type	Date	Item
H2112362	Certificate of Analysis	May 07, 2024	P167978

Chemical and Physical Properties

Solubility	H2O: 20 mg/mL, clear
Molecular Weight	214.650 g/mol
XLogP3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	214.051 Da
Monoisotopic Mass	214.051 Da
Topological Polar Surface Area	66.600 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	220.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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	2

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