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NI-1-Br

Alias: NI-1-Br; KUN56321; KUN-56321; KUN-56321;
Cat No.:V2299 Purity: ≥98%
NI-1-Br is a biochemical.
NI-1-Br
NI-1-Br Chemical Structure CAS No.: 1771756-32-1
Product category: Others 6
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
NI-1-Br is a biochemical.
NI-1-Br (CAS# 1771756-32-1), also known as KUN56321, is a luminescent agent and biochemical reagent. It has a molecular formula of C23H15BrN2 and a molecular weight of 399.28 g/mol. The compound is also known as 2-(4-bromophenyl)-3-phenyl-3H-naphth[1,2-d]imidazole. NI-1-Br is a biochemical used in research applications, particularly in the field of luminescence and optical materials. As a luminescent agent, the compound may be used in imaging, sensing, or optoelectronic applications. The compound's structure features a naphthimidazole core with bromophenyl and phenyl substituents, which provide an extended π-conjugated system for fluorescence or phosphorescence emission. The bromine atom may also allow for further functionalization through cross-coupling reactions. The compound is typically provided with a purity of ≥98%.
Biological Activity I Assay Protocols (From Reference)
Targets
The molecular targets of NI-1-Br are not biological targets, as the compound is a luminescent agent used in materials science and biochemical research rather than a pharmaceutical agent. In luminescence applications, NI-1-Br functions as a fluorophore or phosphor that absorbs light at a specific wavelength and emits light at a longer wavelength. The compound's photophysical properties, including its absorption and emission spectra, quantum yield, and lifetime, determine its utility in various applications. In biochemical research, NI-1-Br may be used as a fluorescent probe for labeling or sensing applications, or as a component of luminescent materials for optoelectronic devices. The compound does not have specific biological targets and is not designed to interact with enzymes, receptors, or other biomolecules in a targeted manner. Its primary utility is in the development of luminescent materials and probes for research applications.
ln Vitro
In vitro activity of NI-1-Br is characterized by its photophysical properties rather than biological activity. In materials science assays, NI-1-Br is evaluated for its absorption and emission spectra, fluorescence quantum yield, and fluorescence lifetime. The compound's photophysical properties are typically measured using UV-Vis and fluorescence spectroscopy. The compound's absorption maximum is expected in the UV-visible range (300-450 nm), and its emission maximum is expected in the visible range (400-600 nm), depending on the solvent and environment. The compound's quantum yield and lifetime are measured using absolute quantum yield measurements and time-resolved fluorescence spectroscopy. In biochemical research, NI-1-Br may be evaluated for its utility as a fluorescent probe, including its brightness, photostability, and sensitivity to environmental factors such as pH, polarity, and viscosity. Specific biological activities, such as IC50 values against specific targets, are not applicable for this compound.
ln Vivo
In vivo activity of NI-1-Br is not relevant, as the compound is a luminescent agent used in research and is not intended for administration to living organisms. The compound is not developed as a therapeutic agent and does not have pharmacological effects in vivo. Its use in biological research may include the development of luminescent probes for in vivo imaging, where NI-1-Br would be used as a component of a probe that targets specific biomarkers. However, the compound itself is not tested for in vivo efficacy. Any potential exposure to NI-1-Br in research settings would be related to handling during experiments, and appropriate safety precautions should be taken. The compound is classified as a biochemical reagent and is not intended for human therapeutic or diagnostic applications.
Enzyme Assay
For in vitro photophysical characterization assays with NI-1-Br, the following protocol is used: NI-1-Br is dissolved in an appropriate solvent (e.g., DMSO, dichloromethane, or ethanol) at a concentration of 1-10 μM. The UV-Vis absorption spectrum is recorded using a spectrophotometer, scanning from 200 to 800 nm. The fluorescence emission spectrum is recorded using a fluorescence spectrophotometer, with excitation at the absorption maximum and emission scanned from the excitation wavelength to 800 nm. The fluorescence quantum yield is measured using a relative method with a standard fluorophore (e.g., fluorescein in 0.1 M NaOH, quantum yield 0.92) or an absolute method using an integrating sphere. The fluorescence lifetime is measured using time-correlated single photon counting (TCSPC) or a streak camera. The compound's solvatochromic properties are assessed by measuring the absorption and emission spectra in solvents of different polarity (e.g., hexane, toluene, dichloromethane, acetonitrile, ethanol, water). The compound's photostability is assessed by measuring the fluorescence intensity over time under continuous irradiation.
Cell Assay
For in vitro cell-based imaging assays with NI-1-Br, the following typical protocol is used: Mammalian cells (e.g., HeLa, HEK293, or primary cells) are cultured in DMEM with 10% FBS and antibiotics at 37°C in 5% CO₂. Cells are seeded on coverslips or in 96-well plates and allowed to adhere overnight. NI-1-Br is dissolved in DMSO and diluted in culture medium to final concentrations of 0.1-10 μM (final DMSO ≤ 0.1%). Cells are incubated with the compound for 30 minutes to 24 hours. Cells are washed with PBS to remove unbound compound. For fluorescence microscopy, cells are fixed with 4% paraformaldehyde and mounted on slides. Images are acquired using a fluorescence microscope with appropriate filter sets (e.g., excitation 350-400 nm, emission 420-500 nm). For live-cell imaging, cells are maintained at 37°C during imaging. For flow cytometry analysis, cells are trypsinized, resuspended in PBS, and analyzed on a flow cytometer with appropriate laser and emission filter settings. For assessment of cellular uptake, cells are lysed and the fluorescence intensity is measured using a microplate reader.
Additional Infomation
NI-1-Br (CAS# 1771756-32-1) is a luminescent agent and biochemical reagent with a molecular formula of C23H15BrN2 and a molecular weight of 399.28 g/mol. It is also known as 2-(4-bromophenyl)-3-phenyl-3H-naphth[1,2-d]imidazole. Future research could focus on developing new luminescent materials based on the naphthimidazole scaffold, investigating the compound's photophysical properties for imaging and sensing applications, and exploring its utility in optoelectronic devices and biological probes.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C23H15BRN2
Molecular Weight
399.2826
Exact Mass
398.04
Elemental Analysis
C, 69.19 H, 3.79 Br, 20.01 N, 7.02
CAS #
1771756-32-1
PubChem CID
155908177
Appearance
Solid powder
LogP
6.7
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Heavy Atom Count
26
Complexity
469
Defined Atom Stereocenter Count
0
SMILES
C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C=C3)N=C2C5=CC=C(C=C5)Br
InChi Key
KLHZNVLXKGCRBF-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H15BrN2/c24-18-13-10-17(11-14-18)23-25-22-20-9-5-4-6-16(20)12-15-21(22)26(23)19-7-2-1-3-8-19/h1-15H
Chemical Name
2-(4-bromophenyl)-3-phenylbenzo[e]benzimidazole
Synonyms
NI-1-Br; KUN56321; KUN-56321; KUN-56321;
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 2.5045 mL 12.5225 mL 25.0451 mL
5 mM 0.5009 mL 2.5045 mL 5.0090 mL
10 mM 0.2505 mL 1.2523 mL 2.5045 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.
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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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