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KAT-IN-2

CAT: 0804-HY-165496Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-165496Size:1 Each
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Description
KAT-IN-2 (7) is a potent and selective kynurenine aminotransferase II (KATII) inhibitor[1][2].
CAS Number
164789-02-0
UNSPSC
12352005
Target
Histone Methyltransferase
Related Pathways
Epigenetics
Field of Research
Others
Smiles
O=C(C(CC(C1=CC(Cl)=CC=C1N)=O)N)O
Molecular Formula
C10H11ClN2O3
Molecular Weight
242.66
References & Citations
[1]Roberto Pellicciari, et al. Modulators of the kynurenine pathway of tryptophan metabolism: synthesis and preliminary biological evaluation of (S) -4- (ethylsulfonyl) benzoylalanine, a potent and selective kynurenine aminotransferase II (KAT II) inhibitor. ChemMedChem. 2006 May;1 (5) :528-31.|[2]M Varasi, et al. Derivatives of kynurenine as inhibitors of rat brain kynurenine aminotransferase. European Journal of Medicinal Chemistry. Volume 31, Issue 1, 1996, Pages 11-21.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-amino-4-(2-amino-5-chlorophenyl)-4-oxo-butyric Acid
CAS Number164789-02-0
PubChem CID9859631
IUPAC Name2-amino-4-(2-amino-5-chlorophenyl)-4-oxobutanoic acid
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66
XLogP-1.6
Topological Polar Surface Area106
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity285
SMILES
C1=CC(=C(C=C1Cl)C(=O)CC(C(=O)O)N)N
InChI
InChI=1S/C10H11ClN2O3/c11-5-1-2-7(12)6(3-5)9(14)4-8(13)10(15)16/h1-3,8H,4,12-13H2,(H,15,16)
InChIKey
VCCXKKFHLAJBJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-amino-4-(2-amino-5-chlorophenyl)-4-oxo-butyric Acid
CAS: 164789-02-0
CID: 9859631
Formula: C10H11ClN2O3
MW: 242.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight242.66
XLogP3-1.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass242.0458199
Monoisotopic Mass242.0458199
Topological Polar Surface Area106 Ų
Heavy Atom Count16
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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