CC-90010 (compound 1) is a reversible, orally bioactive BET inhibitor. CC-90010 is being studied in advanced solid tumors.

Physicochemical Properties

Molecular Formula	C21H21NO4S
Molecular Weight	383.46074461937
Exact Mass	383.119
CAS #	1706738-98-8
PubChem CID	118021883
Appearance	White to off-white solid powder
LogP	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Complexity	706
Defined Atom Stereocenter Count	0
SMILES	S(C)(C1=CC=C(C(=C1)C1=CN(C)C(C2C=CC=CC1=2)=O)OCC1CC1)(=O)=O
InChi Key	UWZAJPITKGWMFJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H21NO4S/c1-22-12-19(16-5-3-4-6-17(16)21(22)23)18-11-15(27(2,24)25)9-10-20(18)26-13-14-7-8-14/h3-6,9-12,14H,7-8,13H2,1-2H3
Chemical Name	4-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methylisoquinolin-1-one
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

References

[1]. CELGENE QUANTICEL RESEARCH, INC. PROCESS FOR THE PREPARATION OF BROMODOMAIN INHIBITOR. Patent. WO2020023438. [2]. CC-90010, a reversible, oral bromodomain and extra-terminal (BET) inhibitor in patients (Pts) with advanced solid tumours (STs) and relapsed/refractory (R/R) non-Hodgkin lymphoma: Updated results of a phase I study.

Additional Infomation

Trotabresib is an oral, potent, and reversible inhibitor of the epigenetic target bromodomain and extra-terminal (BET) proteins. Trotabresib is an orally bioavailable inhibitor of the Bromodomain and Extra-Terminal (BET) family of proteins, with potential antineoplastic activity. Upon oral administration, trotabresib preferentially binds to the second bromodomain (BD2) of BET proteins, thereby preventing the interaction between the BET proteins and acetylated histones. This disrupts chromatin remodeling and gene expression. Prevention of the expression of certain growth-promoting genes may lead to an inhibition of proliferation in BET-overexpressing tumor cells. BET proteins (BRD2, BRD3, BRD4 and BRDT) are transcriptional regulators that contain two homologous bromodomains, the BD1 and BD2 domains. They play an important role during development and cellular growth.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~130.39 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.42 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	2.6078 mL	13.0392 mL	26.0783 mL
	5 mM	0.5216 mL	2.6078 mL	5.2157 mL
	10 mM	0.2608 mL	1.3039 mL	2.6078 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.