Physicochemical Properties
| Molecular Formula | C77H116GD2N14O22S2 |
| Molecular Weight | 1968.46 |
| CAS # | 2678579-76-3 |
| Appearance | Typically exists as solid at room temperature |
| 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) |
Biological Activity
| ln Vitro | The maximal emission wavelength and excitation wavelength of Gd-NMC-3 are 792 nm and 755 nm, respectively. The near-infrared spectrum contains both wavelengths[1]. Gd-NMC-3 can accumulate in tumor locations and functions as a bimodal imaging molecule[1]. OATPs and NTCP may internalize Gd-NMC-3 (50 μM; 24 h) into cancer cells, demonstrating a good selectivity to tumor tissues[1]. In tumors, Gd-NMC-3 (6.25-800 μM, 24 h) shows a respectable relaxation property (11.64 M/m/s) and a notable buildup of fluorescence (at the ideal dose of 100, 200 μM)[1]. Gd-NMC-3 (6.25-100 μM, 48 h) has good biocompatibility and minimal cytotoxicity[1]. |
| ln Vivo | In LM3 orthotopic and subcutaneous tumor models, Gd-NMC-3 (20 mg/kg; iv) exhibits superior tumor targeting capabilities, high sensitivity and resolution, and real-time visual navigation to facilitate tumor resection[1]. |
| Cell Assay |
Cell Cytotoxicity Assay[1] Cell Types: HepG2 and LM3: human hepatocarcinoma cell line; L02: human hepatocyte cell line Tested Concentrations: 6.25-100 μM Incubation Duration: 48 hrs (hours) Experimental Results: Resulted More than 90% cell viability maintained after 48 h. |
| Animal Protocol |
Animal/Disease Models: HepG2 subcutaneous (sc) xenograft mice[1] Doses: 20 mg/kg Route of Administration: intravenous (iv) injection; 1.5 h later dissected tumors Experimental Results: Accumulated in the tumor after injection and produced stronger fluorescence intensity in tumor tissues. Remained fluorescence signal longer than 1.5 h, and provided high-resolution images of the tumor tissues with a SNR of 4.32. Animal/Disease Models: LM3 orthotopic mice[1] Doses: 20 mg/kg Route of Administration: intravenous (iv) injection Experimental Results: diminished gradually the fluorescence intensity in LM3 orthotopic liver tumors after administration, whereas tumor-to-skin fluorescence ratios increased due to high accumulation and low clearance in tumor tissues. |
| References |
[1]. Tumor-Targeting NIRF/MR Dual-Modal Molecular Imaging Probe for Surgery Navigation. Anal Chem. 2022 Aug 3. |
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 : 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). 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 : PEG300：Tween 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). 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 | 0.5080 mL | 2.5401 mL | 5.0801 mL | |
| 5 mM | 0.1016 mL | 0.5080 mL | 1.0160 mL | |
| 10 mM | 0.0508 mL | 0.2540 mL | 0.5080 mL |