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XY1

CAT: 0013-GTR19167505-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19167505-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XY1 is a structural analogue of the potent PRMT3 inhibitor SGC707, designed to serve as a negative control compound. It is used in both in vitro and in vivo studies to validate the specific cellular and physiological effects of PRMT3 inhibition.
CAS Number
1624117-53-8
Product Name Alternative
Inhibit, HistoneMethyltransferase, Histone Methyltransferase, Inhibitor, PRMT3, XY 1, XY1, XY-1
Field of Research
Epigenetics & Chromatin
Purity
97.20% (May vary between batches)
Solubility
DMSO:7.5 mg/mL (25.22 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.36 mM)
Smiles
O=C (CNC (=O) Nc1ccc2ccccc2c1) N1CCCC1
Molecular Formula
C17H19N3O2
Molecular Weight
297.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(Naphthalen-2-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)urea
CAS Number1624117-53-8
PubChem CID78871801
IUPAC Name1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
Molecular FormulaC17H19N3O2
Molecular Weight297.35
XLogP2.2
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity407
SMILES
C1CCN(C1)C(=O)CNC(=O)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C17H19N3O2/c21-16(20-9-3-4-10-20)12-18-17(22)19-15-8-7-13-5-1-2-6-14(13)11-15/h1-2,5-8,11H,3-4,9-10,12H2,(H2,18,19,22)
InChIKey
GSQHGSRPQHBTTP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Naphthalen-2-yl)-3-(2-oxo-2-(pyrrolidin-1-yl)ethyl)urea
CAS: 1624117-53-8
CID: 78871801
Formula: C17H19N3O2
MW: 297.35
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.35
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass297.147726857
Monoisotopic Mass297.147726857
Topological Polar Surface Area61.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity407
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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