Salmeterol-d3 is a deuterated form of Salmeterol. Salmeterol is a potent and specific human beta2-adrenoceptor agonist. Salmeterol effectively stimulates cAMP accumulation. Acting on CHO cells, the pEC50 for human β2, β1 and β3 adrenergic receptors are 9.6, 6.1 and 5.9 respectively.

Physicochemical Properties

Molecular Formula	C25H34D3NO4
Molecular Weight	418.58
Exact Mass	418.291
CAS #	497063-94-2
PubChem CID	10938665
Appearance	White to off-white solid powder
Density	1.12g/cm3
Boiling Point	603.021ºC at 760 mmHg
Melting Point	75.5-76.6ºC
Flash Point	318.496ºC
Index of Refraction	1.566
LogP	4.498
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	16
Heavy Atom Count	30
Complexity	403
Defined Atom Stereocenter Count	0
SMILES	[2H]C([2H])(C1=C(C=CC(=C1)C([2H])(CNCCCCCCOCCCCC2=CC=CC=C2)O)O)O
InChi Key	GIIZNNXWQWCKIB-LPUTUNIKSA-N
InChi Code	InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2/i20D2,25D
Chemical Name	4-[1-deuterio-1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-[dideuterio(hydroxy)methyl]phenol
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]. The discovery of long-acting saligenin β₂ adrenergic receptor agonists incorporating a urea group. Bioorg Med Chem. 2011 Oct 15;19(20):6026-32.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (238.90 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.97 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 (5.97 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 (5.97 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	2.3890 mL	11.9451 mL	23.8903 mL
	5 mM	0.4778 mL	2.3890 mL	4.7781 mL
	10 mM	0.2389 mL	1.1945 mL	2.3890 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.