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| Targets |
Butyryltimolol targets β-adrenergic receptors after being converted to its active metabolite, timolol. Timolol is a non-selective β-adrenergic receptor antagonist (β-blocker) that blocks both β1- and β2-adrenergic receptors. In the eye, blocking β-adrenergic receptors reduces the production of aqueous humor, thereby lowering intraocular pressure. Butyryltimolol is a prodrug that is designed to enhance the penetration of timolol through the cornea.
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| ln Vitro |
When it comes to improving ocular medication absorption, 240 minutes of nasolacrimal duct blocking is just as effective as timolol butyryl, a prodrug of timolol [1].
In vitro, Butyryltimolol is a prodrug that is converted to timolol. Its activity is measured indirectly by assessing the β-blocking activity of the timolol that is released. Studies have shown that Butyryltimolol is equally effective as 240-min nasolacrimal blockade in enhancing ocular drug absorption. Its increased lipophilicity allows it to penetrate the cornea more effectively than timolol itself. |
| ln Vivo |
In vivo, Butyryltimolol is used as a prodrug to deliver timolol to the eye for the treatment of glaucoma. After topical administration, it penetrates the cornea and is enzymatically hydrolyzed to release timolol. The released timolol then reduces intraocular pressure. The prodrug approach enhances the corneal absorption of the active drug, potentially leading to improved efficacy or reduced side effects. Butyryltimolol is a research compound and a pharmaceutical agent.
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| Enzyme Assay |
In vitro assays for Butyryltimolol measure its hydrolysis to timolol and the subsequent β-blocking activity. The compound can be incubated with corneal tissue homogenates or esterases to assess the rate of hydrolysis. The release of timolol can be monitored by HPLC. The β-blocking activity can be measured using radioligand binding assays or functional assays with cells expressing β-adrenergic receptors. These assays confirm the prodrug nature of Butyryltimolol.
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| Cell Assay |
In vitro cell-based assays for Butyryltimolol are not typically performed, as its mechanism of action is through its active metabolite. However, the compound's ability to penetrate corneal epithelial cells can be studied using cell culture models. The compound's permeability across a cell monolayer can be measured. These assays confirm the enhanced corneal penetration of Butyryltimolol compared to timolol.
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| Animal Protocol |
In vivo animal experiments for Butyryltimolol are conducted in animal models of glaucoma. In a typical study, the compound is administered topically to the eyes of animals with elevated intraocular pressure. The reduction in intraocular pressure is measured over time. The compound's efficacy is compared to that of timolol. These studies provide evidence for the in vivo efficacy of Butyryltimolol as a prodrug for timolol.
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| ADME/Pharmacokinetics |
Butyryltimolol has a molecular formula of C17H30N4O4S. It has a CAS number of 106351-79-5. It is a solid compound. For storage, it is recommended to keep the powder at -20°C. Detailed pharmacokinetic properties such as absorption, distribution, metabolism, and excretion (ADME) have been characterized. Butyryltimolol is a lipophilic prodrug that is designed for enhanced corneal penetration.
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| Toxicity/Toxicokinetics |
Detailed toxicity data for Butyryltimolol is not provided in standard product descriptions. As a prodrug of timolol, its safety profile is expected to be similar to that of timolol. Timolol is generally well-tolerated, but it can cause side effects such as ocular irritation, bradycardia, and bronchospasm. As with all research chemicals, standard laboratory safety precautions should be followed when handling Butyryltimolol.
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| References |
[1]. Chang SC, et al. 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]. Potter DE, et al. Ocular and cardiac beta-antagonism by timolol prodrugs, timolol and levobunolol. Curr Eye Res. 1988 Aug;7(8):755-9. |
| Additional Infomation |
Butyryltimolol is a research compound and a pharmaceutical agent that has been developed as a prodrug of timolol for the treatment of glaucoma. It is a lipophilic ester prodrug that enhances the corneal penetration of the active β-blocker timolol. After entering the eye, it is enzymatically hydrolyzed to release timolol. Butyryltimolol is a valuable research tool for studying ocular drug delivery and β-adrenergic receptor blockade.
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| Molecular Formula |
C17H30N4O4S
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| Molecular Weight |
386.5095
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| Exact Mass |
386.199
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| CAS # |
106351-79-5
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| Related CAS # |
(RS)-Butyryltimolol;2320274-78-8
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| PubChem CID |
62934
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| Appearance |
Colorless to light yellow liquid（Density：1.169±0.06 g/cm3）
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| Density |
1.169g/cm3
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| Boiling Point |
511.5ºC at 760 mmHg
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| Flash Point |
263.2ºC
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| Vapour Pressure |
1.41E-10mmHg at 25°C
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| Index of Refraction |
1.522
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| LogP |
2.309
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
26
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| Complexity |
430
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| Defined Atom Stereocenter Count |
1
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| SMILES |
CCCC(O[C@H](COC1=NSN=C1N1CCOCC1)CNC(C)(C)C)=O
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| InChi Key |
IGJCFKQCZRWRRM-ZDUSSCGKSA-N
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| 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/t13-/m0/s1
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| Chemical Name |
[(2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-yl] butanoate
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~258.73 mM)
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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