(RS)-Butyryltimolol is the racemate of Butyryltimolol. Butyryltimolol is a potent precursor of Timolol. Timolol may be utilized to study glaucoma, but it is difficult to penetrate the cornea. The chemical structure of Timolol is modified to obtain Butyryltimolol, which has an enhanced ability to penetrate the cornea. After entering the eyeball, it is hydrolyzed by enzymes and regenerated into Timolol to work. Butyryltimolol is a beta-adrenergic (beta-adrenergic) blocker.

Physicochemical Properties

Molecular Formula	C17H30N4O4S
Molecular Weight	386.51
Exact Mass	386.198
CAS #	2320274-78-8
Related CAS #	Butyryltimolol;106351-79-5
PubChem CID	23276806
Appearance	Colorless to light yellow ointment
Density	1.169±0.06 g/cm3(Predicted)
Boiling Point	511.5±50.0 °C(Predicted)
LogP	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	11
Heavy Atom Count	26
Complexity	430
Defined Atom Stereocenter Count	0
SMILES	S1N=C(C(=N1)N1CCOCC1)OCC(CNC(C)(C)C)OC(CCC)=O
InChi Key	IGJCFKQCZRWRRM-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H30N4O4S/c1-5-6-14(22)25-13(11-18-17(2,3)4)12-24-16-15(19-26-20-16)21-7-9-23-10-8-21/h13,18H,5-12H2,1-4H3
Chemical Name	[1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] butanoate
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

Targets	β adrenergic receptor
ln Vitro	When it comes to improving ocular medication absorption, butyryltimolol, a prodrug of tipol, is just as effective as 240-min nasolacrimal blockade[1].
References	[1]. Relative effectiveness of prodrug and viscous solution approaches in maximizing the ratio of ocular to systemic absorption of topically applied timolol. Exp Eye Res. 1988 Jan;46(1):59-69. [2]. Ocular and cardiac beta-antagonism by timolol prodrugs, timolol and levobunolol. Curr Eye Res. 1988 Aug;7(8):755-9.

Solubility Data

Solubility (In Vitro)

DMSO: ≥ 100 mg/mL (258.73 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 5 mg/mL (12.94 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 50.0 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: ≥ 5 mg/mL (12.94 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 50.0 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: ≥ 5 mg/mL (12.94 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 50.0 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	2.5873 mL	12.9363 mL	25.8726 mL
	5 mM	0.5175 mL	2.5873 mL	5.1745 mL
	10 mM	0.2587 mL	1.2936 mL	2.5873 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.