(+)-Penbutolol is a β-adrenergic antagonist (inhibitor) with IC50 of 0.74 μM. (+)-Penbutolol is also an optical isomer of (-)-penbutolol and has the effect of blocking Na+ channels.

Physicochemical Properties

Molecular Formula	C18H29NO2
Molecular Weight	291.42836
Exact Mass	291.219
CAS #	38363-41-6
Related CAS #	(-)-Penbutolol;38363-40-5
PubChem CID	162302
Appearance	White to off-white solid powder
LogP	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	7
Heavy Atom Count	21
Complexity	294
Defined Atom Stereocenter Count	1
SMILES	O[C@@H](COC1=C(C=CC=C1)C2CCCC2)CNC(C)(C)C
InChi Key	KQXKVJAGOJTNJS-OAHLLOKOSA-N
InChi Code	InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3/t15-/m1/s1
Chemical Name	(2R)-1-(tert-butylamino)-3-(2-cyclopentylphenoxy)propan-2-ol
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

ln Vitro	(+)-Penbutolol causes a rise in [Ca2+]i that is concentration-dependent and brought on by LPC [1]. Cell rounding was prevented by (+)-penbutolol in a dose-dependent manner (8±4%, 56±4%, and 66±2 at 10-6 M, 5×10-6 M, and 10-5 M doses, respectively %) [2].
References	[1]. Effects of beta-adrenoceptor antagonists on Ca(2+)-overload induced by lysophosphatidylcholine in rat isolated cardiomyocytes. Br J Pharmacol. 1996 Jun;118(4):865-70. [2]. Effects of antiischemic drugs on veratridine-induced hypercontracture in rat cardiac myocytes. Eur J Pharmacol. 1994 Dec 12;271(1):1-8.
Additional Infomation	(+)-Penbutolol is an aromatic ether.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~343.14 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (8.58 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% 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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (8.58 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 3: ≥ 2.5 mg/mL (8.58 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	3.4314 mL	17.1568 mL	34.3136 mL
	5 mM	0.6863 mL	3.4314 mL	6.8627 mL
	10 mM	0.3431 mL	1.7157 mL	3.4314 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.