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Chromoionophore I

Cat No.:V45532 Purity: ≥98%
Chromoionophore I (ETH 5294) is a hydrophobic pH indicator.
Chromoionophore I
Chromoionophore I Chemical Structure CAS No.: 125829-24-5
Product category: New3
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
50mg
100mg
250mg
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Product Description
Chromoionophore I (ETH 5294) is a hydrophobic pH indicator. Chromoionophore I is used as a transmissive or fluorescent probe molecule in many types of hydrophobic sensor membranes. Chromoionophore I is oil-soluble.
Chromoionophore I (also known as ETH 5294) is a lipophilic, neutral ion-selective chromoionophore used in the development of optical chemical sensors (optodes). It has the molecular formula C₃₂H₄₀N₄O₃ and a molecular weight of 528.69. Chromoionophore I is a pH-sensitive chromoionophore that undergoes a color change upon protonation or deprotonation. It is widely used in the preparation of ion-selective optodes for the detection of various ions including alkali metal ions, alkaline earth metal ions, and heavy metal ions. The compound is used in environmental monitoring, clinical diagnostics, and analytical chemistry research.
Biological Activity I Assay Protocols (From Reference)
Targets
Chromoionophore I does not have a specific biological target. Its mechanism of action is chemical rather than biological. As a chromoionophore, it is a lipophilic dye that partitions into polymeric membranes (e.g., plasticized PVC membranes) used in optical sensors. The compound undergoes a color change (from yellow to blue or vice versa) upon protonation or deprotonation of its tertiary amine group. This color change is coupled with the ion-exchange or co-extraction of target ions into the membrane, providing a signal that is proportional to the concentration of the target ion in the sample.
ln Vitro
Chromoionophore I exhibits pH-dependent absorbance changes in the visible spectrum. In its deprotonated form, the compound is yellow with an absorbance maximum around 450 nm. Upon protonation, the compound undergoes a color change to blue with an absorbance maximum around 650 nm. The pKa of Chromoionophore I is approximately 8.5-9.5 in typical optode membranes. The compound's absorbance changes are reversible and can be used to measure pH changes in the sample or to detect ions that are co-extracted with protons into the membrane. The compound does not exhibit pharmacological activity.
ln Vivo
Chromoionophore I does not have in vivo pharmacological activity. It is a chemical reagent used for analytical and sensor development applications. The compound is not administered to animals for therapeutic or pharmacological studies. Its use is limited to in vitro and ex vivo applications for the development and characterization of optical chemical sensors.
Enzyme Assay
Non-cellular assays for Chromoionophore I typically involve its use as an ion-selective indicator in optode membranes. In a typical assay, Chromoionophore I is incorporated into a plasticized PVC membrane along with an ionophore (ion carrier) and a lipophilic ion-exchanger. The membrane is placed in contact with an aqueous solution containing the target ion. The absorbance or reflectance of the membrane is measured at the appropriate wavelengths. Changes in absorbance are correlated with the concentration of the target ion in the sample. Calibration curves are prepared using standard solutions of known ion concentrations.
Cell Assay
In vitro cellular assays for Chromoionophore I are not typically conducted, as the compound is used as an analytical reagent rather than a biological tool. The compound may be used in cell-based sensor applications, but such applications are specialized and not standard. Chromoionophore I is primarily used in the development and characterization of optical sensors for ion detection in environmental and clinical samples.
Animal Protocol
Chromoionophore I is not used in in vivo animal studies as a therapeutic or pharmacological agent. Its application in animal research is limited to its use as a sensor component for measuring ion concentrations in biological samples such as blood, plasma, or urine. The compound is not administered to animals for therapeutic purposes.
ADME/Pharmacokinetics
Chromoionophore I is not a drug and does not have pharmacokinetic properties. Its physical and chemical properties are more relevant: it is a lipophilic, neutral chromoionophore with a molecular weight of 528.69 and a molecular formula of C₃₂H₄₀N₄O₃. The compound is soluble in organic solvents such as tetrahydrofuran (THF) and is typically incorporated into polymeric membranes for sensor applications.
Toxicity/Toxicokinetics
Specific toxicological data for Chromoionophore I are not extensively detailed in standard product information. As a research chemical, it should be handled with standard laboratory precautions, avoiding inhalation, ingestion, and skin contact. The compound is not intended for human use. Appropriate personal protective equipment should be worn when handling this compound.
References

[1]. Liquid| Liquid Interfacial Photoelectrochemistry of Chromoionophore I Immobilised in 4‐(3‐Phenylpropyl) Pyridine Microdroplets. ChemElectroChem, 2014, 1(2): 400-406.

Additional Infomation
Chromoionophore I is a research-grade chemical reagent intended for laboratory use only and is not approved for clinical use. Its CAS number is 125829-24-5. The primary applications of Chromoionophore I include the development of ion-selective optical sensors (optodes) for the detection of various ions in environmental monitoring, clinical diagnostics, and analytical chemistry. The compound is also known as ETH 5294. Chromoionophore I is a valuable tool for the study of ion-selective sensing mechanisms and for the development of novel optical sensor technologies.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C38H53N3O2
Molecular Weight
583.84632
Exact Mass
583.414
CAS #
125829-24-5
PubChem CID
4403211
Appearance
Brown to black solid powder
Density
1.06 g/cm3
Boiling Point
680.824ºC at 760 mmHg
Melting Point
91-93ºC(lit.)
Flash Point
365.549ºC
Index of Refraction
1.565
LogP
10.62
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
19
Heavy Atom Count
43
Complexity
920
Defined Atom Stereocenter Count
0
InChi Key
MYWBZQJIXVRCJC-UHFFFAOYSA-N
InChi Code
InChI=1S/C38H53N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37(42)39-34-29-36-38(32-24-22-21-23-31(32)34)40-33-27-26-30(28-35(33)43-36)41(5-2)6-3/h21-24,26-29H,4-20,25H2,1-3H3
Chemical Name
N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]octadecanamide
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 1.7128 mL 8.5638 mL 17.1277 mL
5 mM 0.3426 mL 1.7128 mL 3.4255 mL
10 mM 0.1713 mL 0.8564 mL 1.7128 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
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  • 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.
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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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