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| 1mg |
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| Other Sizes |
| Targets |
The primary target for imaging with CH1-055 is not a specific protein but rather the surface of cells to which the dye is targeted via conjugation. In the context of cancer imaging, CH1-055 is conjugated to an anti-EGFR Affibody, which binds specifically to the epidermal growth factor receptor (EGFR). EGFR is often overexpressed on the surface of many solid tumors, including non-small cell lung cancer, breast cancer, and glioblastoma. The CH1-055-anti-EGFR Affibody conjugate binds to EGFR with high affinity, allowing for specific accumulation in EGFR-positive tumors. The fluorophore itself has no intrinsic biological activity and is used purely as a contrast agent. The rapid renal clearance of the unconjugated dye ensures that background signal is quickly eliminated, improving the tumor-to-background ratio. The NIR-II emission of CH1-055 (typically >1000 nm) allows for high-resolution imaging through several millimeters of tissue.
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| ln Vitro |
In vitro studies demonstrate that CH1-055 can be conjugated to biomolecules such as Affibodies without loss of their binding activity. The CH1-055-anti-EGFR Affibody conjugate shows high affinity and specificity for EGFR-overexpressing cells in vitro. In a typical binding assay, cells expressing high levels of EGFR (e.g., A431 epidermoid carcinoma cells) are incubated with the conjugate, and the fluorescence signal is visualized by confocal microscopy or quantified by flow cytometry. Minimal binding is observed in EGFR-negative cells (e.g., MDA-MB-231 or MCF-7 cells with low EGFR expression). The conjugate does not show significant non-specific binding to serum proteins or to cells lacking the target receptor. The dye itself, when used alone, does not interact with cells in a target-specific manner, as it is designed to be inert. The spectral properties of CH1-055 are unaffected by conjugation, retaining its NIR-II emission and fluorescence quantum yield. The probe's photostability is suitable for extended imaging sessions (up to several hours).
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| ln Vivo |
In vivo studies show that CH1-055-anti-EGFR Affibody conjugate can be used for tumor imaging in mouse xenograft models. Mice bearing EGFR-positive xenografts (e.g., A431 or HCC827) are injected intravenously with the conjugate, and fluorescence imaging is performed in the NIR-II window using appropriate excitation and emission filters. The tumor becomes clearly visible within 1-4 hours after injection, and the signal persists for up to 24 hours. The rapid renal clearance of the unconjugated dye ensures that the background signal is low, resulting in a high tumor-to-background ratio. In contrast, mice injected with the dye alone (without Affibody) show rapid distribution and clearance without specific tumor accumulation. The conjugate does not accumulate in any major organs except the kidneys and bladder due to the excretion route. The imaging signal can be used to guide surgical resection of tumors and to monitor treatment response. The depth of imaging is limited by the tissue penetration of NIR-II light, but superficial tumors and intraoperative imaging of exposed tissues are feasible. The conjugate is well-tolerated at the doses used for imaging (typically 1-5 mg/kg).
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| Enzyme Assay |
In vitro assays for receptor binding and specificity are performed using surface plasmon resonance (SPR) or ELISA. For SPR, the CH1-055-anti-EGFR Affibody conjugate is immobilized on a sensor chip, and recombinant EGFR protein is flowed over the chip in increasing concentrations (0.1-100 nM) to determine the binding affinity (KD). Alternatively, the conjugate can be used as the analyte. For ELISA, 96-well plates are coated with recombinant EGFR protein, blocked, and incubated with the conjugate at various concentrations. Bound conjugate is detected using an anti-biotin antibody (if the conjugate is biotinylated) or directly by measuring the NIR-II fluorescence (if a suitable plate reader is available). For cellular binding assays, EGFR-positive and EGFR-negative cells are fixed or used live in 96-well plates. The conjugate is added at 10-100 nM, incubated for 1-2 hours, washed to remove unbound conjugate, and fluorescence is measured using a fluorescence plate reader equipped with NIR-II filters. The specificity is confirmed by comparing signal intensities between positive and negative cell lines.
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| Cell Assay |
In vitro cellular experiments are performed to assess the targeting specificity of the CH1-055-anti-EGFR Affibody conjugate. Cells are seeded on coverslips in 24-well plates at a density of 50,000 cells/well and allowed to adhere overnight. The conjugate is added at concentrations ranging from 1 to 100 nM in culture medium and incubated for 1-4 hours at 37degC. After washing with PBS, cells are fixed with 4% paraformaldehyde, counterstained with DAPI for nuclear visualization, and imaged using a confocal microscope with a NIR-II detection module (if available) or a standard fluorescence microscope (if the dye also emits in the visible range). For flow cytometry, cells are harvested after incubation, washed, and analyzed using a flow cytometer equipped with appropriate lasers. The mean fluorescence intensity (MFI) is measured and compared between EGFR-positive and EGFR-negative cells. To assess internalization, cells can be treated with a quenching reagent (e.g., trypan blue or antibody-based quencher) to distinguish surface-bound versus internalized probe. The conjugate is expected to remain on the cell surface due to the binding to EGFR, which is a transmembrane receptor, but may undergo receptor-mediated endocytosis. No significant toxicity is observed at the concentrations used for imaging (<100 nM).
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| Animal Protocol |
In vivo imaging experiments are conducted in female BALB/c nude mice (6-8 weeks old) bearing subcutaneous xenograft tumors. Mice are inoculated with 5 × 10⁶ A431 or HCC827 cells in the right flank. When tumors reach approximately 100-200 mm3 (typically 10-14 days post-inoculation), the CH1-055-anti-EGFR Affibody conjugate is administered via intravenous (tail vein) injection at a dose of 1-5 mg/kg (in 100-200 uL saline). Mice are anesthetized using isoflurane (1-2% in oxygen) for imaging. Imaging is performed at multiple time points post-injection (0, 1, 2, 4, 8, 12, 24, 48 hours) using a NIR-II imaging system equipped with a 808 nm or 980 nm laser for excitation and an InGaAs camera for detection. A 1000 nm long-pass filter is used to collect the emitted signal. The mice are positioned supine or prone, and images of the whole body, as well as regions of interest (tumor, kidneys, liver), are acquired. The tumor-to-background ratio (TBR) is calculated by dividing the signal intensity in the tumor by that in an adjacent normal tissue (e.g., muscle). After the final imaging time point, mice are euthanized, and organs (tumor, liver, kidney, spleen, heart, lung, brain) are harvested for ex vivo fluorescence imaging to assess biodistribution.
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| ADME/Pharmacokinetics |
The pharmacokinetic (PK) profile of CH1-055 has been characterized in mice. Following intravenous administration, the dye is rapidly cleared from the systemic circulation, with an elimination half-life of approximately 2-4 hours. The primary route of elimination is renal excretion: about 90% of the administered dose is excreted in the urine within 24 hours. The high level of renal clearance indicates that the dye is minimally reabsorbed and does not bind extensively to plasma proteins (though this has not been formally determined). The dye does not accumulate in the liver or other organs to a significant extent, as evidenced by the rapid decline in fluorescence signal from the liver region (due to uptake by Kupffer cells, if any) and the subsequent excretion. There is no evidence of enterohepatic recirculation. The PK of the CH1-055-anti-EGFR Affibody conjugate is expected to be different: the Affibody component (MW ~7 kDa) would also be rapidly cleared renally, but the conjugate may have longer plasma retention. The conjugate's PK would be dictated by the Affibody, which has a molecular weight below the renal filtration cutoff (typically <50 kDa), resulting in rapid clearance unless modified. Therefore, imaging windows of 1-4 hours are recommended. For repeated imaging, the dye can be administered again after 24-48 hours. Detailed studies using radiolabeled material are required to fully quantify PK parameters.
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| Toxicity/Toxicokinetics |
Toxicology data for CH1-055 are limited, but the compound is generally considered biocompatible and non-toxic based on its chemical structure as a small organic fluorophore. It does not contain heavy metals (e.g., does not contain toxic elements). In vitro cytotoxicity assays using cell lines (e.g., HEK293, HepG2, A431) show that CH1-055 is well-tolerated at concentrations up to 100 uM for 24-72 hours, with no significant reduction in cell viability measured by the MTT assay. The anti-EGFR Affibody is a small engineered protein that is expected to be non-immunogenic in mice, though repeated dosing may elicit an immune response in non-human primates or humans. In vivo, mice injected with the CH1-055-anti-EGFR Affibody conjugate at doses used for imaging (1-5 mg/kg) show no signs of acute toxicity, such as hunched posture, ruffled fur, weight loss, or behavioral changes. No histopathological abnormalities in major organs (liver, kidney, spleen, heart, lung) are observed in treated mice after a single injection, as assessed by H&E staining. The rapid renal clearance minimizes the potential for accumulation-induced toxicity. However, no formal toxicology studies (e.g., acute, sub-chronic, genotoxicity) have been performed because the compound is intended solely for research use and not for clinical development. As with all fluorescent dyes, potential phototoxicity from the excitation light should be considered, though NIR light is less harmful than UV or visible light. Appropriate light exposure limits should be observed to prevent tissue damage.
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| References | |
| Additional Infomation |
CH1-055 is a research compound for laboratory use only and is not approved for human diagnostic or therapeutic use. It is a chemical tool for NIR-II fluorescence imaging, particularly for preclinical cancer research. The compound is typically stored as a solid powder at -20degC, protected from light and moisture, and is stable for years under these conditions. For use, it is dissolved in DMSO or PBS (depending on solubility) to make a stock solution (e.g., 1-10 mM in DMSO). The stock should be stored at -80degC in small aliquots to avoid repeated freeze-thaw cycles. The dye can be conjugated to antibodies, Affibodies, or other targeting ligands via NHS ester or maleimide chemistry, depending on the functional groups present. The unconjugated dye is also used as a negative control or for vascular imaging. No clinical trials have been registered for this compound. Its development is part of the broader field of molecular imaging, aiming to improve the detection and surgical resection of tumors using targeted NIR-II probes. Researchers are advised to handle the compound in a fume hood and wear appropriate PPE (gloves, lab coat, safety glasses) to prevent skin contact and inhalation.
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| Molecular Formula |
C54H44N6O8S2
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|---|---|
| Molecular Weight |
969.092570304871
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| Exact Mass |
968.266
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| CAS # |
1622250-38-7
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| Related CAS # |
CH1055 triethylamine
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| PubChem CID |
122501700
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| Appearance |
Light green to green solid powder
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| LogP |
11.6
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
16
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| Rotatable Bond Count |
20
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| Heavy Atom Count |
70
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| Complexity |
1580
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1=NC2C(=C(C3C=CC(=CC=3)N(C3C=CC(CCC(=O)O)=CC=3)C3C=CC(CCC(=O)O)=CC=3)C3C(C=2C2C=CC(=CC=2)N(C2C=CC(CCC(=O)O)=CC=2)C2C=CC(CCC(=O)O)=CC=2)=NSN=3)N=1
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| InChi Key |
LTJDYGCWCCRPBZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C54H44N6O8S2/c61-45(62)29-9-33-1-17-39(18-2-33)59(40-19-3-34(4-20-40)10-30-46(63)64)43-25-13-37(14-26-43)49-51-53(57-69-55-51)50(54-52(49)56-70-58-54)38-15-27-44(28-16-38)60(41-21-5-35(6-22-41)11-31-47(65)66)42-23-7-36(8-24-42)12-32-48(67)68/h1-8,13-28H,9-12,29-32H2,(H,61,62)(H,63,64)(H,65,66)(H,67,68)
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| Chemical Name |
3-[4-[4-(2-carboxyethyl)-N-[4-[8-[4-[4-(2-carboxyethyl)-N-[4-(2-carboxyethyl)phenyl]anilino]phenyl]-5λ4,11-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(12),2,4,5,7,9-hexaen-2-yl]phenyl]anilino]phenyl]propanoic acid
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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 |
| 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) |
DMSO : ~16.67 mg/mL (~17.20 mM)
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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 | 1.0319 mL | 5.1595 mL | 10.3190 mL | |
| 5 mM | 0.2064 mL | 1.0319 mL | 2.0638 mL | |
| 10 mM | 0.1032 mL | 0.5159 mL | 1.0319 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.
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