1624117-53-8

Basic information

• Product Name: XY1
• Synonyms: XY1;XY-1 (Negative of SGC-707);N-2-Naphthalenyl-N'-[2-oxo-2-(1-pyrrolidinyl)ethyl]urea
• CAS NO: 1624117-53-8
• Molecular Formula: C17H19N3O2
• Molecular Weight: 297.35166
• Product Categories: API
• Mol File: 1624117-53-8.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 514.8±42.0 °C(Predicted)
• Appearance: /
• Density: 1.284±0.06 g/cm3(Predicted)
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• PKA: 12.62±0.46(Predicted)
• CAS DataBase Reference: XY1(CAS DataBase Reference)
• NIST Chemistry Reference: XY1(1624117-53-8)
• EPA Substance Registry System: XY1(1624117-53-8)

Safety Data

• Hazardous Substances Data: 1624117-53-8(Hazardous Substances Data)

Usage

Description

Protein arginine N-methyltransferase 3 (PRMT3, ) is a predominantly cytoplasmic enzyme that is constitutively expressed. SGC707 is a potent, selective allosteric inhibitor of PRMT3 (IC50 = 50 nM). It inhibits the methylation of histones in cells with an IC50 value below 1 μM. XY1 is a close analog of SGC707 that is completely inactive against PRMT3 at concentrations as high as 100 μM. It is intended to be used as a negative control for SGC707 in studies involving PRMT3 action. See the Structural Genomics Consortium (SGC) website for more information.

Uses

XY1 acts as a close analog of SGC707 that is completely inactive against PRMT3, inhibiting the methylation of histones in cells.

Upstream product

• 91-59-8 naphthalen-2-ylamine 
• 123-75-1 pyrrolidine 

Relevant articles and documents

A potent, selective and cell-active allosteric inhibitor of protein arginine methyltransferase 3 (PRMT3)

PRMT3 catalyzes the asymmetric dimethylation of arginine residues of various proteins. It is essential for maturation of ribosomes, may have a role in lipogenesis, and is implicated in several diseases. A potent, selective, and cell-active PRMT3 inhibitor would be a valuable tool for further investigating PRMT3 biology. Here we report the discovery of the first PRMT3 chemical probe, SGC707, by structure-based optimization of the allosteric PRMT3 inhibitors we reported previously, and thorough characterization of this probe in biochemical, biophysical, and cellular assays. SGC707 is a potent PRMT3 inhibitor (IC50=31±2 nM, KD=53±2 nM) with outstanding selectivity (selective against 31 other methyltransferases and more than 250 non-epigenetic targets). The mechanism of action studies and crystal structure of the PRMT3-SGC707 complex confirm the allosteric inhibition mode. Importantly, SGC707 engages PRMT3 and potently inhibits its methyltransferase activity in cells. It is also bioavailable and suitable for animal studies. This well-characterized chemical probe is an excellent tool to further study the role of PRMT3 in health and disease. High selectivity: The first PRMT3 chemical probe, SGC707, was discovered by structure-based optimization. SGC707 is a potent PRMT3 inhibitor with outstanding selectivity. The mechanism of action studies and crystal structure of the PRMT3-SGC707 complex confirm the allosteric inhibition mode. SGC707 engages PRMT3 and potently inhibits its methyltransferase activity in cells. It is also bioavailable and suitable for animal studies.