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NDSB 256-4T (3-(4-(tert-Butyl)pyridinio)-1-propanesulfonate)

Cat No.:V65405 Purity: ≥98%
NDSB 256-4T is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for life science related research.
NDSB 256-4T (3-(4-(tert-Butyl)pyridinio)-1-propanesulfonate)
NDSB 256-4T (3-(4-(tert-Butyl)pyridinio)-1-propanesulfonate) Chemical Structure CAS No.: 570412-84-9
Product category: Biochemical Assay Reagents
This product is for research use only, not for human use. We do not sell to patients.
Size Price
5g
Other Sizes
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Product Description
NDSB 256-4T is a biochemical compound that could be utilized as a biomaterial or organic/chemical reagent for life science related research.
NDSB 256-4T (3-(4-(tert-Butyl)pyridinio)-1-propanesulfonate, CAS 570412-84-9) is a biochemical reagent and non-detergent sulfobetaine (NDSB) used in life science research. It has a molecular weight of 257.35 g/mol and the formula C₁₂H₁₉NO₃S. The compound is a non-detergent sulfobetaine that inhibits protein aggregation and aids in protein folding by interacting with early folding intermediates. It is used as a biomaterial or organic/chemical reagent for life science related research.
Biological Activity I Assay Protocols (From Reference)
Targets
NDSB 256-4T is a non-detergent sulfobetaine that does not have specific biological receptors as its primary targets. Its mechanism of action is based on its ability to prevent protein aggregation and facilitate protein folding, presumably by interacting with early folding intermediates. The compound's zwitterionic nature allows it to stabilize proteins without denaturing them, making it useful for protein biochemistry applications. Its primary applications are as a protein stabilization reagent, particularly in protein purification, refolding, and crystallization studies.
ln Vitro
In vitro, NDSB 256-4T is used as a biochemical reagent and non-detergent sulfobetaine for life science research. It inhibits protein aggregation and aids in protein folding by interacting with early folding intermediates. The compound is used in protein biochemistry applications, including protein purification, refolding, and crystallization. Cellular assays are not typically performed with this compound as a direct cell-modulating agent, as its primary applications are in protein biochemistry. The compound's ability to stabilize proteins makes it valuable for studying protein structure and function.
ln Vivo
In vivo data for NDSB 256-4T is limited, as it is primarily used as an in vitro research reagent for protein biochemistry. The compound is classified for research use only and is not intended for human or veterinary therapeutic applications. Its primary applications are in protein purification, refolding, and crystallization studies. The compound's ability to stabilize proteins suggests potential for in vivo applications in protein therapeutics, though specific data is not available. The compound is not a therapeutic agent.
Enzyme Assay
In vitro assays for NDSB 256-4T typically evaluate its ability to prevent protein aggregation and facilitate protein folding. A standard protocol involves incubating a model protein (e.g., lysozyme, BSA) with varying concentrations of NDSB 256-4T (typically 0.1-1 M) in appropriate buffer systems. Protein aggregation is monitored by light scattering or size exclusion chromatography. Protein folding is assessed by measuring enzymatic activity, circular dichroism, or fluorescence spectroscopy. The compound's ability to stabilize proteins against thermal or chemical denaturation is evaluated by measuring thermal melting temperature (Tm) using differential scanning calorimetry or circular dichroism.
Cell Assay
Cellular assays for NDSB 256-4T are not typically performed, as it is primarily a protein biochemistry reagent rather than a cell-modulating agent. The compound is used in cell lysis and protein extraction buffers to stabilize proteins during purification. A typical protocol involves adding NDSB 256-4T to lysis buffers at concentrations of 0.5-1 M. Cells are lysed and proteins are extracted. Protein yield and activity are compared with and without NDSB 256-4T. The compound's ability to prevent protein aggregation during cell lysis is evaluated. Cytotoxicity is not typically assessed as the compound is used in cell-free systems.
Animal Protocol
In vivo animal studies for NDSB 256-4T are not standard, as it is primarily a protein biochemistry reagent rather than a therapeutic candidate. The compound is classified for research use only and is not intended for human or veterinary applications. Any animal studies would be limited to evaluating the compound as a formulation excipient for protein therapeutics. The compound's primary value lies in its use for protein purification and stabilization in research settings. Specific in vivo protocols are not available in the public literature.
ADME/Pharmacokinetics
Pharmacokinetic data for NDSB 256-4T is limited, as it is primarily a research reagent. The compound has a molecular weight of 257.35 g/mol and a molecular formula of C₁₂H₁₉NO₃S. It is a solid at room temperature. As a zwitterionic sulfobetaine, it is expected to have limited membrane permeability. The compound is soluble in water and aqueous buffers. Specific ADME data is not available. The compound is stored in a dry, cool place.
Toxicity/Toxicokinetics
NDSB 256-4T is classified for research use only and is not intended for human or veterinary applications. Standard safety precautions include handling with appropriate personal protective equipment (gloves, lab coat, safety goggles) in a well-ventilated area. The compound should be stored in a dry, cool place away from incompatible materials. Acute toxicity data is not readily available in the public literature. As with all research chemicals, appropriate laboratory safety practices should be followed. No specific LD₅₀ values or detailed toxicological profiles are available in the public domain.
Additional Infomation
NDSB 256-4T (3-(4-(tert-Butyl)pyridinio)-1-propanesulfonate, CAS 570412-84-9) is a biochemical reagent with the molecular formula C₁₂H₁₉NO₃S. It is a non-detergent sulfobetaine that inhibits protein aggregation and aids in protein folding. The compound is classified as a research-use-only compound not intended for diagnostic or therapeutic purposes. It is available from multiple commercial suppliers in various pack sizes. No clinical trials or approved drug status exist for this compound as it is not a therapeutic agent.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C12H19NO3S
Molecular Weight
257.35
Exact Mass
383.249
CAS #
570412-84-9
PubChem CID
16760575
Appearance
White to off-white solid powder
LogP
5.363
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Heavy Atom Count
17
Complexity
305
Defined Atom Stereocenter Count
0
SMILES
S(C([H])([H])C([H])([H])C([H])([H])[N+]1C([H])=C([H])C(=C([H])C=1[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])(=O)(=O)[O-]
InChi Key
QMGYGZCGWOKPGR-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H19NO3S/c1-12(2,3)11-5-8-13(9-6-11)7-4-10-17(14,15)16/h5-6,8-9H,4,7,10H2,1-3H3
Chemical Name
3-(4-tert-butylpyridin-1-ium-1-yl)propane-1-sulfonate
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)
Solubility Data
Solubility (In Vitro)
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.8858 mL 19.4288 mL 38.8576 mL
5 mM 0.7772 mL 3.8858 mL 7.7715 mL
10 mM 0.3886 mL 1.9429 mL 3.8858 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
/

Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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