XY1

Modify Date: 2024-01-02 08:05:59

XY1 Structure
XY1 structure
Common Name XY1
CAS Number 1624117-53-8 Molecular Weight 297.352
Density 1.3±0.1 g/cm3 Boiling Point 514.8±42.0 °C at 760 mmHg
Molecular Formula C17H19N3O2 Melting Point N/A
MSDS N/A Flash Point 265.1±27.9 °C

 Use of XY1


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.Target: PRMT3XY1 is a close analogue of SGC707, is completely inactive againstPRMT3 at concentrations as high as 100 μM. XY1 contains a naphthyl group replacing the isoquinoline group, lacks the key hydrogen bond with T466. The naphthyl ring of XY1 could act as a weak hydrogen-bond acceptor, but this should come with a substantial enthalpic penalty. The more than 1000-fold potency loss of XY1 compared with SGC707 supports this analysis. It is unclear whether other factors such as electronic effects also contributed to the potency loss of XY1 compared with SGC707. SGC707 and XY1 are a pair of excellent tools for the biomedical community to further elucidate biological functions and disease associations of PRMT3.

 Names

Name N-2-Naphthalenyl-N'-[2-oxo-2-(1-pyrrolidinyl)ethyl]urea
Synonym More Synonyms

 XY1 Biological Activity

Description 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.Target: PRMT3XY1 is a close analogue of SGC707, is completely inactive againstPRMT3 at concentrations as high as 100 μM. XY1 contains a naphthyl group replacing the isoquinoline group, lacks the key hydrogen bond with T466. The naphthyl ring of XY1 could act as a weak hydrogen-bond acceptor, but this should come with a substantial enthalpic penalty. The more than 1000-fold potency loss of XY1 compared with SGC707 supports this analysis. It is unclear whether other factors such as electronic effects also contributed to the potency loss of XY1 compared with SGC707. SGC707 and XY1 are a pair of excellent tools for the biomedical community to further elucidate biological functions and disease associations of PRMT3.
Related Catalog
References

[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.

 Chemical & Physical Properties

Density 1.3±0.1 g/cm3
Boiling Point 514.8±42.0 °C at 760 mmHg
Molecular Formula C17H19N3O2
Molecular Weight 297.352
Flash Point 265.1±27.9 °C
Exact Mass 297.147736
LogP 2.43
Vapour Pressure 0.0±1.3 mmHg at 25°C
Index of Refraction 1.670
Storage condition 2-8℃

 Synonyms

Urea, N-2-naphthalenyl-N'-[2-oxo-2-(1-pyrrolidinyl)ethyl]-
1-(2-Naphthyl)-3-[2-oxo-2-(1-pyrrolidinyl)ethyl]urea
XY1
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