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| Other Sizes |
| Targets |
Sn-Butyrylthiocholine iodide does not have a defined pharmacological target as it is a biochemical substrate and research reagent. The compound is used as a substrate for butyrylcholinesterase (BChE) assays, enabling the measurement of enzyme activity in biochemical research. Its primary applications are in enzyme kinetics and neuroscience research.
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| ln Vitro |
In vitro activity of Sn-Butyrylthiocholine iodide is assessed in cholinesterase enzyme assays. The compound serves as a substrate for butyrylcholinesterase (BChE), enabling the measurement of enzyme activity. Upon enzymatic hydrolysis, the free thiol group of thiocholine reacts with DTNB for colorimetric detection. The compound is used in enzyme kinetics and neuroscience research.
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| ln Vivo |
No specific in vivo pharmacological activity data have been documented for Sn-Butyrylthiocholine iodide as a therapeutic agent. The compound is used as a biochemical substrate and research reagent for cholinesterase assays. It is not administered to animals for pharmacological evaluation. Its applications are limited to in vitro enzyme kinetics and biochemical research.
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| Enzyme Assay |
For non-cellular assays, Sn-Butyrylthiocholine iodide is characterized by standard analytical techniques including HPLC, NMR, and mass spectrometry to confirm identity and purity. The compound has a molecular weight of 317.23 and formula C₉H₂₀INOS. Storage: -20°C for powder for up to 3 years. Typical protocols involve using the compound as a substrate in BChE activity assays with DTNB for colorimetric detection.
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| Cell Assay |
For in vitro cell-based studies, Sn-Butyrylthiocholine iodide is not typically used as a direct test compound in cell culture. It is used as a biochemical substrate for cholinesterase assays in cell lysates or biological samples. If handled in a biological laboratory context, standard safety precautions should be taken. The compound should be stored under nitrogen.
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| Animal Protocol |
For in vivo animal studies, Sn-Butyrylthiocholine iodide is not typically administered as a test compound. It is used as a biochemical substrate and research reagent for in vitro cholinesterase assays. If used in animal studies for specific research purposes, it would be administered via appropriate routes with suitable formulations.
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| ADME/Pharmacokinetics |
Sn-Butyrylthiocholine iodide has a molecular weight of 317.23 and formula C₉H₂₀INOS. Storage: powder at -20°C for 3 years. The compound is a solid at room temperature. Solubility: soluble in water and aqueous buffers. Purity: typically ≥95-98%.
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| Toxicity/Toxicokinetics |
Sn-Butyrylthiocholine iodide is for research use only and not for human consumption. Standard laboratory safety practices should be followed when handling this chemical. Appropriate personal protective equipment including gloves and safety glasses should be worn. Specific LD₅₀ values and detailed toxicological profiles have not been extensively reported.
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| References | |
| Additional Infomation |
A sulfur-containing butyrylcholine analogue can be hydrolyzed by butyrylcholinesterase to butyric acid and thiocholine. It can be used as a reagent for determining butyrylcholinesterase activity.
Sn-Butyrylthiocholine iodide (CAS 1866-16-6) is also known as butyrylthiocholine iodide and S-n-butyrylthiocholine iodide. It is a biochemical substrate for butyrylcholinesterase (BChE) assays and a sulfonylation reagent for organic synthesis and drug discovery. No clinical trials or therapeutic approvals exist. |
| Molecular Formula |
C9H20INOS
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|---|---|
| Molecular Weight |
317.23
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| Exact Mass |
317.031
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| CAS # |
1866-16-6
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| PubChem CID |
74630
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| Appearance |
White to off-white solid powder
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| Melting Point |
171-174 °C(lit.)
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
13
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| Complexity |
140
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[I-].S(C(C([H])([H])C([H])([H])C([H])([H])[H])=O)C([H])([H])C([H])([H])[N+](C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
|
| InChi Key |
WEQAAFZDJROSBF-UHFFFAOYSA-M
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| InChi Code |
InChI=1S/C9H20NOS.HI/c1-5-6-9(11)12-8-7-10(2,3)4;/h5-8H2,1-4H3;1H/q+1;/p-1
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| Chemical Name |
2-butanoylsulfanylethyl(trimethyl)azanium;iodide
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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 Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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) |
H2O: ~125 mg/mL (~394.0 mM; with ultrasonication)
DMSO: ~66.7 mg/mL (~210.2 mM; with ultrasonication) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.88 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (7.88 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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 (7.88 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 DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.1523 mL | 15.7614 mL | 31.5229 mL | |
| 5 mM | 0.6305 mL | 3.1523 mL | 6.3046 mL | |
| 10 mM | 0.3152 mL | 1.5761 mL | 3.1523 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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