PROTAC BRD4-binding moiety 1 is the ligand of BRD4. PROTAC BRD4-binding moiety 1 binds to cereblon ligand through a linker to produce PROTAC to degrade BRD4. PROTAC BRD4-binding moiety 1 is a reagent for click chemistry. It has Alkyne groups and could undergo CuAAc (copper-catalyzed azide-alkyne cycloaddition reaction) with compounds bearing Azide groups.

Physicochemical Properties

Molecular Formula	C23H21N3O2
Molecular Weight	371.431745290756
Exact Mass	371.163
CAS #	2101200-10-4
PubChem CID	141488040
Appearance	Off-white to light yellow solid powder
LogP	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	28
Complexity	623
Defined Atom Stereocenter Count	0
SMILES	N1(C)C2=C(C=C(C3=C(C)ON=C3C)C=C2)C(C2=CC=CC=C2)N(CC#C)C1=O
InChi Key	ZKJVDZJHVLJOKO-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H21N3O2/c1-5-13-26-22(17-9-7-6-8-10-17)19-14-18(21-15(2)24-28-16(21)3)11-12-20(19)25(4)23(26)27/h1,6-12,14,22H,13H2,2-4H3
Chemical Name	6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methyl-4-phenyl-3-prop-2-ynyl-4H-quinazolin-2-one
Synonyms	PROTAC BRD4binding moiety 1; PROTAC BRD4 binding moiety 1
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	PROTAC BRD4 Degrader-2 is a potent PROTAC BRD4 degrader against BRD4 BD1, having an IC50 of 14.2 nM[1].
References	[1]. Discovery of a new class of PROTAC BRD4 degraders based on a dihydroquinazolinone derivative and lenalidomide/pomalidomide. Bioorg Med Chem. 2020 Jan 1;28(1):115228.

Solubility Data

Solubility (In Vitro)

DMSO : ~120 mg/mL (~323.08 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3 mg/mL (8.08 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 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.  (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.