CBP/p300-IN-1 is a CBP/EP300 bromodomain inhibitor.

Physicochemical Properties

Molecular Formula	C23H23FN2O5
Molecular Weight	426.44
Exact Mass	426.159
CAS #	2443789-32-8
PubChem CID	137628649
Appearance	White to off-white solid powder
Density	1.24±0.1 g/cm3(Predicted)
Boiling Point	496.1±45.0 °C(Predicted)
LogP	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	31
Complexity	694
Defined Atom Stereocenter Count	0
InChi Key	BNTANBUTBDVIHY-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H23FN2O5/c1-13(27)26-12-17(16-11-15(30-5)7-9-20(16)26)21(28)25-19-10-14(6-8-18(19)24)22(29)31-23(2,3)4/h6-12H,1-5H3,(H,25,28)
Chemical Name	tert-butyl 3-[(1-acetyl-5-methoxyindole-3-carbonyl)amino]-4-fluorobenzoate
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	CBP/EP300[1]
References	[1]. Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer. Eur J Med Chem. 2018 Mar 10;147:238-252.

Solubility Data

Solubility (In Vitro)

DMSO : 62.5 mg/mL (146.56 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.88 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 20.8 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: ≥ 2.08 mg/mL (4.88 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 20.8 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	2.3450 mL	11.7250 mL	23.4500 mL
	5 mM	0.4690 mL	2.3450 mL	4.6900 mL
	10 mM	0.2345 mL	1.1725 mL	2.3450 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.