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XY1

CAT: 0804-HY-19714-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19714-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XY1 is an analog of SGC707 , a potent and selective PRMT3 inhibitor with an IC50 of 31 nM. XY1 is completely inactive against PRMT3. XY1 and SGC707 represent an excellent pair of tools for further elucidating the biological functions and disease relevance of PRMT3[1].
CAS Number
1624117-53-8
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Drug Derivative
Type
Reference compound
Related Pathways
Others
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/XY1.html
Purity
99.10
Solubility
DMSO : 67.5 mg/mL (ultrasonic)
Smiles
O=C(NCC(N1CCCC1)=O)NC2=CC=C3C=CC=CC3=C2
Molecular Formula
C17H19N3O2
Molecular Weight
297.35
Precautions
H302, H315, H319, H335
References & Citations
[1]Kaniskan H?, et al. A potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase 3 (PRMT3) . Angew Chem Int Ed Engl. 2015 Apr 20;54 (17) :5166-70.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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