CE3F4 analog 1 is the analog of CE3F4.

Physicochemical Properties

Molecular Formula	C11H9BR3FNO
Molecular Weight	429.91
Exact Mass	428.819
CAS #	2141967-43-1
PubChem CID	145951693
Appearance	White to off-white solid powder
LogP	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	17
Complexity	306
Defined Atom Stereocenter Count	0
InChi Key	SVSYDDSARYTIKE-UHFFFAOYSA-N
InChi Code	InChI=1S/C11H9Br3FNO/c1-5-2-3-6-7(12)10(15)8(13)9(14)11(6)16(5)4-17/h4-5H,2-3H2,1H3
Chemical Name	5,7,8-tribromo-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbaldehyde
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]. Sonawane YA, et, al. Structure-Activity Relationship Studies with Tetrahydroquinoline Analogs as EPAC Inhibitors. ACS Med Chem Lett. 2017 Oct 2;8(11):1183-1187.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (232.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.82 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 2: ≥ 2.5 mg/mL (5.82 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	2.3261 mL	11.6303 mL	23.2607 mL
	5 mM	0.4652 mL	2.3261 mL	4.6521 mL
	10 mM	0.2326 mL	1.1630 mL	2.3261 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.