SGC-SMARCA-BRDVIII is a potent and specific inhibitor of SMARCA2/4 and PB1(5) with Kds of 35 nM, 36 nM and 13 nM respectively. SGC-SMARCA-BRDVIII also inhibits PB1(2) and PB1(3) with Kds of 3.7 and 2.0 μM, respectively. SGC-SMARCA-BRDVIII blocks adipogenesis in 3T3-L1 mouse fibroblasts.

Physicochemical Properties

Molecular Formula	C19H25N5O3
Molecular Weight	371.43
Exact Mass	371.2
Elemental Analysis	C, 61.44; H, 6.78; N, 18.85; O, 12.92
CAS #	1997319-84-2
Related CAS #	1997319-84-2;
PubChem CID	137045929
Appearance	Off-white to yellow solid powder
LogP	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	27
Complexity	504
Defined Atom Stereocenter Count	0
InChi Key	AQTNUGRRZDRZIA-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H25N5O3/c1-19(2,3)27-18(26)24-10-8-23(9-11-24)15-12-14(21-22-17(15)20)13-6-4-5-7-16(13)25/h4-7,12,25H,8-11H2,1-3H3,(H2,20,22)
Chemical Name	tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Synonyms	SGC-SMARCA-BRDVIII; SGCSMARCABRDVIII; SGC SMARCA BRDVIII;
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

ln Vitro	SGC-SMARCA-BRDVIII (Compound 22) (1 μM; 14 days) Foam adipocyte secretions in murine fibroblasts 3T3-L1 [1].
References	[1]. Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis. J Med Chem. 2020 Dec 10;63(23):14680-14699. [2]. Design and Synthesis of LM146, a Potent Inhibitor of PB1 with an Improved Selectivity Profile over SMARCA2. ACS Omega. 2021 Aug 9;6(33):21327-21338.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~67.31 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.73 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 25.0 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: ≥ 2.5 mg/mL (6.73 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 3: ≥ 2.5 mg/mL (6.73 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	2.6923 mL	13.4615 mL	26.9230 mL
	5 mM	0.5385 mL	2.6923 mL	5.3846 mL
	10 mM	0.2692 mL	1.3461 mL	2.6923 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.