Cholesterol absorption inhibitor 1 (compound 21) is a cholesterol absorption inhibitor that reduces hepatic cholesterol esters.

Physicochemical Properties

Molecular Formula	C31H25F2NO3
Molecular Weight	497.53
CAS #	190595-65-4
PubChem CID	10720110
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	706.8±60.0 °C at 760 mmHg
Flash Point	381.3±32.9 °C
Vapour Pressure	0.0±2.2 mmHg at 25°C
Index of Refraction	1.61
LogP	6.1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	9
Heavy Atom Count	37
Complexity	748
Defined Atom Stereocenter Count	2
SMILES	FC1C([H])=C([H])C(=C([H])C=1[H])N1C([C@]([H])(C([H])([H])C([H])([H])C(C2C([H])=C([H])C(=C([H])C=2[H])F)=O)[C@@]1([H])C1C([H])=C([H])C(=C([H])C=1[H])OC([H])([H])C1C([H])=C([H])C([H])=C([H])C=1[H])=O
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]. Discovery of 1-(4-fluorophenyl)-(3R)-3-(4-fluorophenyl)-(3S)-hydroxypropyl-(4S)-(4 -hydroxyphenyl)-2-azetidinone (SCH 58235): a designed, potent, orally active inhibitor of cholesterol absorption. J Med Chem. 1998 Mar 12;41(6):973-80.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~100.50 mM; with ultrasonication)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (2.51 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 12.5 mg/mL clear DMSO stock solution and add it to 900 μL corn oil and mix well.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.0099 mL	10.0496 mL	20.0993 mL
	5 mM	0.4020 mL	2.0099 mL	4.0199 mL
	10 mM	0.2010 mL	1.0050 mL	2.0099 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.