SH-42 is a potent and specific inhibitor of human Δ24-dehydrocholesterol reductase (DHCR24) with IC50 of 42 nM. SH-42 causes a significant increase in plasma desterol levels in mice.

Physicochemical Properties

Molecular Formula	C25H38O4
Molecular Weight	402.566828250885
Exact Mass	402.277
CAS #	2143952-36-5
PubChem CID	145952750
Appearance	White to off-white solid powder
LogP	5.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	29
Complexity	684
Defined Atom Stereocenter Count	8
SMILES	C[C@]12CC[C@@H](C[C@]1([H])CC=C1[C@]3([H])CC[C@@]([H])([C@]3(CC[C@@]12[H])C)[C@H](C)COC=O)OC(=O)C
InChi Key	ZMSGAXSBKXUQKY-PUCUFLQQSA-N
InChi Code	InChI=1S/C25H38O4/c1-16(14-28-15-26)21-7-8-22-20-6-5-18-13-19(29-17(2)27)9-11-24(18,3)23(20)10-12-25(21,22)4/h6,15-16,18-19,21-23H,5,7-14H2,1-4H3/t16-,18+,19+,21-,22+,23+,24+,25-/m1/s1
Chemical Name	[(3S,5S,9R,10S,13R,14R,17R)-17-[(2S)-1-formyloxypropan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
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]. New chemotype of selective and potent inhibitors of human delta 24-dehydrocholesterol reductase. Eur J Med Chem. 2017 Nov 10;140:305-320.

Solubility Data

Solubility (In Vitro)	DMSO : ~2 mg/mL (~4.97 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 5 mg/mL (12.42 mM) in 6.6% Cremophor solution (1:1 Ethanol and Cremophor EL) 93.4% PBS (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.4840 mL	12.4202 mL	24.8404 mL
	5 mM	0.4968 mL	2.4840 mL	4.9681 mL
	10 mM	0.2484 mL	1.2420 mL	2.4840 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.