Praeruptorin E is a naturally occurring coumarin derivative extracted from P. praeruptorum (a Chinese herbal medicine) and has been used as a cardiotonic agent with selective cardiac calcium channel agonistic effect.

Physicochemical Properties

Molecular Formula	C24H28O7
Molecular Weight	428.4749
Exact Mass	428.183
CAS #	78478-28-1
PubChem CID	6440581
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	516.5±50.0 °C at 760 mmHg
Flash Point	221.4±30.2 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.560
LogP	5.59
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	31
Complexity	779
Defined Atom Stereocenter Count	2
SMILES	C/C=C(/C)\C(=O)O[C@H]1[C@H](C2=C(C=CC3=C2OC(=O)C=C3)OC1(C)C)OC(=O)CC(C)C
InChi Key	UFUVJROSOIXJGR-WLISBCLRSA-N
InChi Code	InChI=1S/C24H28O7/c1-7-14(4)23(27)30-22-21(29-18(26)12-13(2)3)19-16(31-24(22,5)6)10-8-15-9-11-17(25)28-20(15)19/h7-11,13,21-22H,12H2,1-6H3/b14-7-/t21-,22-/m0/s1
Chemical Name	[(9S,10S)-8,8-dimethyl-10-(3-methylbutanoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
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 Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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]. Effects of praeruptorin C and E isolated from 'Qian-Hu' on swine coronary artery and guinea-pig atria. Eur J Pharmacol. 1988 Oct 18;155(3):293-6.
Additional Infomation	Praeruptorin E has been reported in Musineon divaricatum with data available.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~58.35 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.83 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	2.3339 mL	11.6694 mL	23.3389 mL
	5 mM	0.4668 mL	2.3339 mL	4.6678 mL
	10 mM	0.2334 mL	1.1669 mL	2.3339 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.