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PF-04859989 HCl

CAT: 1410-M27913-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M27913-01Size:2 mg
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Description
PF-04859989 HCl is a brain-penetrable and irreversible inhibitor of kynurenine amino transferase II (KAT II), which is the enzyme responsible for most of the brain synthesis of kynurenic acid.
CAS Number
177943-33-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
286.93
Molecular Formula
C7H6BrCl2NO2
Notes
Research use only, not for human use.
Receptor
Myeloperoxidase

Chemical Information

(S)-3-Amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one hydrochloride
CAS Number177943-33-8
PubChem CID22868922
IUPAC Name(3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one;hydrochloride
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity220
SMILES
C1[C@@H](C(=O)N(C2=CC=CC=C21)O)N.Cl
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
Chemical Structure
2D Structure
2D structure of (S)-3-Amino-1-hydroxy-3,4-dihydroquinolin-2(1H)-one hydrochloride
CAS: 177943-33-8
CID: 22868922
Formula: C9H11ClN2O2
MW: 214.65
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.65
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass214.0509053
Monoisotopic Mass214.0509053
Topological Polar Surface Area66.6 Ų
Heavy Atom Count14
Formal Charge0
Complexity220
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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