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Chemical structure of XY1

GC19388

XY1

Also known as 1-naphthalen-2-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

XY1 is a very close analogue of SGC707 (a potent, selective, and non-competitive inhibitor of PRMT3 with IC50 of 31 nM), but XY1 is completely inactive

ChemicalCAS1624117-53-8MW297.35FormulaC17H19N3O2
CAS number
1624117-53-8
Molecular weight
297.35
Formula
C17H19N3O2
Solubility
DMSO ： 67·5 mg/mL (227·01 mM)
InChIKey
GSQHGSRPQHBTTP-UHFFFAOYSA-N
Catalogue number
GC19388
Brand
GLPBIO
Computed properties PubChem CID 78871801 · XLogP 2.2 · TPSA 61.4 Ų · H-bond donors 2
XLogP
2.2
TPSA
61.4 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22

SMILES C1CCN(C1)C(=O)CNC(=O)NC2=CC3=CC=CC=C3C=C2

Computed descriptors from PubChem (CID 78871801), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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