BRD7-IN-1 is a modified BI7273 analogue (BRD7/9 inhibitor), which forms PROTAC VZ185 by connecting with VHL ligand (the DC50 of VZ185 inhibiting BRD7/9 is 4.5 nM and 1.8 nM respectively).

Physicochemical Properties

Molecular Formula	C22H28CL2N4O3
Molecular Weight	467.3887
Exact Mass	466.153
CAS #	2448414-48-8
PubChem CID	138377578
Appearance	Off-white to yellow solid powder
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	31
Complexity	593
Defined Atom Stereocenter Count	0
SMILES	Cl[H].Cl[H].O(C([H])([H])[H])C1C([H])=C(C2=C([H])N(C([H])([H])[H])C(C3C([H])=NC([H])=C([H])C2=3)=O)C([H])=C(C=1C([H])([H])N1C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H])OC([H])([H])[H]
InChi Key	VUBFYDKFJHVJDQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C22H26N4O3.2ClH/c1-25-13-18(16-4-5-24-12-17(16)22(25)27)15-10-20(28-2)19(21(11-15)29-3)14-26-8-6-23-7-9-26;;/h4-5,10-13,23H,6-9,14H2,1-3H3;2*1H
Chemical Name	4-[3,5-dimethoxy-4-(piperazin-1-ylmethyl)phenyl]-2-methyl-2,7-naphthyridin-1-one;dihydrochloride
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	BRD7, BRD9[1]
References	[1]. Iterative Design and Optimization of Initially Inactive Proteolysis Targeting Chimeras (PROTACs) Identify VZ185 as a Potent, Fast, and Selective von Hippel-Lindau (VHL) Based Dual Degrader Probe of BRD9 and BRD7. J Med Chem. 2019 Jan 24;62.

Solubility Data

Solubility (In Vitro)

H2O: 100 mg/mL (213.95 mM) DMSO: 30 mg/mL (64.19 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (6.42 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 3 mg/mL (6.42 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: 100 mg/mL (213.95 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with ultrasonication.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.1395 mL	10.6977 mL	21.3954 mL
	5 mM	0.4279 mL	2.1395 mL	4.2791 mL
	10 mM	0.2140 mL	1.0698 mL	2.1395 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.