| Size | Price | Stock | Qty |
|---|---|---|---|
| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
IR-1048 targets the tumor hypoxic microenvironment through its nitroreductase (NTR)-responsive properties. The compound does not target a specific protein or enzyme but rather serves as a NIR/PA imaging probe and photothermal agent that is activated in hypoxic tumor environments.
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|---|---|
| ln Vitro |
The in vitro activity of IR-1048 is its function as a NIR/PA imaging probe and photothermal agent. The compound exhibits near-infrared fluorescence and photoacoustic properties that enable high-contrast imaging. Upon NIR laser irradiation, IR-1048 generates heat, making it useful for photothermal therapy.
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| ln Vivo |
IR-1048 has demonstrated in vivo utility for tumor diagnosis research. The compound can be used for high-contrast NIR II/photoacoustic imaging and photothermal therapy research of the tumor hypoxic microenvironment.
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| Enzyme Assay |
In vitro assays for IR-1048 involve studying its NIR fluorescence and photoacoustic properties, as well as its photothermal effects. The compound's NTR-responsive properties can be assessed by measuring fluorescence or photoacoustic signal changes in hypoxic conditions.
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| Cell Assay |
For in vitro cellular experiments, IR-1048 is dissolved in DMSO and diluted in cell culture medium. Cells are incubated with the compound under normoxic or hypoxic conditions to assess NTR-responsive activation. Fluorescence or photoacoustic signals can be measured to evaluate the probe's responsiveness.
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| Animal Protocol |
For in vivo animal experiments, IR-1048 is administered to tumor-bearing mouse models. The compound enables high-contrast NIR II/photoacoustic imaging of tumors. Upon NIR laser irradiation, the compound can be used for photothermal therapy.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of IR-1048 have not been extensively characterized. The compound has a molecular weight of 739.91 g/mol and should be stored under appropriate conditions, protected from light.
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| Toxicity/Toxicokinetics |
IR-1048 is intended for research use only and not for human therapeutic or diagnostic applications. Standard laboratory safety precautions should be observed when handling this chemical reagent.
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| References |
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| Additional Infomation |
IR-1048 (S01448) is a nitroreductase-responsive near-infrared fluorescence/photoacoustic imaging probe and photothermal agent for tumor diagnosis and therapy research. It is used for high-contrast imaging and photothermal therapy of the tumor hypoxic microenvironment and has no clinical or therapeutic applications.
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| Molecular Formula |
C40H38BCL3F4N2
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|---|---|
| Molecular Weight |
739.91
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| Exact Mass |
738.213
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| CAS # |
155613-98-2
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| PubChem CID |
16212602
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| Appearance |
Brown to black solid powder
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| Melting Point |
230ºC (dec.)(lit.)
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| LogP |
12.919
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
9
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| Heavy Atom Count |
50
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| Complexity |
1170
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[B-](F)(F)(F)F.CCCCN\1C2=C3C(=C(C=C2)Cl)C=CC=C3/C1=C/C=C/4\CCCC(=C4Cl)/C=C/C5=[N+](C6=C7C5=CC=CC7=C(C=C6)Cl)CCCC
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| InChi Key |
IKZNCEDZIQWVNS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C40H38Cl3N2.BF4/c1-3-5-24-44-34(30-14-8-12-28-32(41)18-22-36(44)38(28)30)20-16-26-10-7-11-27(40(26)43)17-21-35-31-15-9-13-29-33(42)19-23-37(39(29)31)45(35)25-6-4-2;2-1(3,4)5/h8-9,12-23H,3-7,10-11,24-25H2,1-2H3;/q+1;-1
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| Chemical Name |
(2Z)-1-butyl-2-[(2E)-2-[3-[(E)-2-(1-butyl-6-chlorobenzo[cd]indol-1-ium-2-yl)ethenyl]-2-chlorocyclohex-2-en-1-ylidene]ethylidene]-6-chlorobenzo[cd]indole;tetrafluoroborate
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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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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) |
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
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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 | 1.3515 mL | 6.7576 mL | 13.5152 mL | |
| 5 mM | 0.2703 mL | 1.3515 mL | 2.7030 mL | |
| 10 mM | 0.1352 mL | 0.6758 mL | 1.3515 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.
Products are for research use only; We do not sell to patients
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