PROTAC BRD9 Degrader-6 is a potent BRD9 degrader (IC50=0.13 nM) and may be utilized in the study of BAF complex-related diseases.

Physicochemical Properties

Molecular Formula	C47H56N8O6
Molecular Weight	828.997550964355
Exact Mass	828.432
CAS #	2676211-62-2
PubChem CID	156817976
Appearance	White to off-white solid powder
LogP	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	10
Heavy Atom Count	61
Complexity	1670
Defined Atom Stereocenter Count	0
SMILES	O=C1C2=C(CN1C1C(NC(CC1)=O)=O)C=CC(=C2)N1CC2(CCN(CC3CCN(CC4C(=CC(C5=CN(C)C(C6C=NC(=CC5=6)N5CCC5)=O)=CC=4OC)OC)CC3)CC2)C1
InChi Key	OBNRBCUHEAAFPS-UHFFFAOYSA-N
InChi Code	InChI=1S/C47H56N8O6/c1-50-26-37(35-22-42(53-13-4-14-53)48-23-36(35)45(50)58)32-19-40(60-2)38(41(20-32)61-3)27-51-15-9-30(10-16-51)24-52-17-11-47(12-18-52)28-54(29-47)33-6-5-31-25-55(46(59)34(31)21-33)39-7-8-43(56)49-44(39)57/h5-6,19-23,26,30,39H,4,7-18,24-25,27-29H2,1-3H3,(H,49,56,57)
Chemical Name	3-[5-[7-[[1-[[4-[6-(azetidin-1-yl)-2-methyl-1-oxo-2,7-naphthyridin-4-yl]-2,6-dimethoxyphenyl]methyl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
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
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	IC50: 0.13 nM (BRD9)
References	[1]. Ruppel Sabine K, et al. Preparation of substituted naphthyridines for treating BAF complex-related disorders. United States, US20210230190 A1. 2021-07-29.

Solubility Data

Solubility (In Vitro)

DMSO : 100 mg/mL (120.63 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (3.02 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 25.0 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 2: ≥ 2.5 mg/mL (3.02 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.2063 mL	6.0314 mL	12.0627 mL
	5 mM	0.2413 mL	1.2063 mL	2.4125 mL
	10 mM	0.1206 mL	0.6031 mL	1.2063 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.