[CAS NO. 1624117-53-8] XY1

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PRODUCTS SPECIFICATIONS [1624117-53-8]

Catalog

HY-19714

Brand

MCE

CAS

1624117-53-8

DESCRIPTION [1624117-53-8]

Overview

MDL	MFCD28397755
Molecular Weight	297.35
Molecular Formula	C17H19N3O2
SMILES	O=C(NCC(N1CCCC1)=O)NC2=CC=C3C=CC=CC3=C2

For research use only. We do not sell to patients.

1 Publications Citing Use of MCE

[1]Clin Transl Med. 2022 Jan;12(1):e686.

Summary

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: PRMT3 XY1 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 .

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase
NCT04230629	Medical University of Vienna	Age Related Cataracts	March 15, 2021	Not Applicable

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 67.5 mg/mL ( 227.01 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	3.3630 mL	16.8152 mL	33.6304 mL
5 mM	0.6726 mL	3.3630 mL	6.7261 mL
10 mM	0.3363 mL	1.6815 mL	3.3630 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 2.25 mg/mL (7.57 mM); Clear solution
2.

Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)

Solubility: ≥ 2.25 mg/mL (7.57 mM); Clear solution
3.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 2.25 mg/mL (7.57 mM); Clear solution

* All of the co-solvents are available by MCE.

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.