CBP/p300-IN-12 is a potent and specific covalent inhibitor of histone acetyltransferase p300 (IC50 of 166 nM) and CBP. CBP/p300-IN-12 reduces H3K27Ac levels in PC-3 cells (EC50 of 37 nM). CBP/p300-IN-12 can form covalent adducts with C1450.

Physicochemical Properties

Molecular Formula	C33H29F4N5O6
Molecular Weight	667.61
Exact Mass	667.205
CAS #	2738688-57-6
PubChem CID	162640854
Appearance	Off-white to light yellow solid powder
Density	1.46±0.1 g/cm3(Predicted)
LogP	4.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	48
Complexity	1260
Defined Atom Stereocenter Count	2
SMILES	C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@]3(CCC4=C3C=CC(=C4)NC(=O)NC5=CC=CC(=C5)NC(=O)C=C)OC2=O
InChi Key	JUWRXRFZRKHMBP-PSTIOWGYSA-N
InChi Code	InChI=1S/C33H29F4N5O6/c1-3-27(43)38-23-5-4-6-24(16-23)39-30(46)40-25-11-12-26-21(15-25)13-14-32(26)29(45)42(31(47)48-32)18-28(44)41(19(2)33(35,36)37)17-20-7-9-22(34)10-8-20/h3-12,15-16,19H,1,13-14,17-18H2,2H3,(H,38,43)(H2,39,40,46)/t19-,32+/m0/s1
Chemical Name	N-[3-[[(5R)-3-[2-[(4-fluorophenyl)methyl-[(2S)-1,1,1-trifluoropropan-2-yl]amino]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]carbamoylamino]phenyl]prop-2-enamide
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/p300 166 nM (IC50)
ln Vitro	Compound 2 (CBP/p300-IN-12) exhibited antiproliferative properties in both the AR-negative cell line DU-145 Lower activity (EC50 of 1.37 μM) and the androgen receptor (AR)-positive LnCaP-FGC cells (EC50 of 87 nM).
References	[1]. Discovery of a Potent and Selective Covalent p300/CBP Inhibitor. ACS Med Chem Lett. 2021 Apr 5;12(5):726-731.

Solubility Data

Solubility (In Vitro)

DMSO : 250 mg/mL (374.47 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.08 mg/mL (3.12 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.4979 mL	7.4894 mL	14.9788 mL
	5 mM	0.2996 mL	1.4979 mL	2.9958 mL
	10 mM	0.1498 mL	0.7489 mL	1.4979 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.