| Size | Price | |
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| Other Sizes |
| Targets |
The catalyst may be used for in situ labeling and imaging of biomolecules (e.g., proteins, nucleic acids) in living organisms or for constructing targeted drug delivery systems
DBCO Ir Catalyst does not target a specific biological receptor like a traditional drug. Instead, its "target" is the azide group (-N₃) present on engineered biomolecules. It acts as a catalyst in bioorthogonal reactions, specifically facilitating the cycloaddition between DBCO and azide groups (copper-free click chemistry) for specific labeling of biomolecules such as proteins and nucleic acids . This reactivity is utilized for in situ labeling and imaging of biomolecules in living organisms or for constructing targeted drug delivery systems . |
|---|---|
| ln Vitro |
DBCO Ir catalyst likely acts as a catalyst in bioorthogonal reactions (e.g., copper-free click chemistry), facilitating the cycloaddition between DBCO and azide groups for specific labeling[1]
DBCO Ir Catalyst acts as a catalyst in bioorthogonal reactions (e.g., copper-free click chemistry), facilitating the cycloaddition between DBCO and azide groups for specific labeling of biomolecules in vitro . |
| ln Vivo |
The compound is classified as a research tool for applications such as in situ labeling and imaging of biomolecules in living organisms or for constructing targeted drug delivery systems
|
| Enzyme Assay |
As a bioorthogonal catalyst, its mechanism of action is based on chemical reactivity (SPAAC click chemistry) rather than biological target engagement. The catalyst likely promotes proximity-based labeling compositions and systems as described in patent WO2021174035 .
|
| Cell Assay |
The compound may be used for intercellular and intracellular proximity-based labeling in cell-based assays , but detailed protocols are not provided.
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| Toxicity/Toxicokinetics |
DBCO Ir Catalyst is classified as a research-grade chemical. All product listings explicitly state that the compound is for research use only and not for human or veterinary use . No specific toxicity data (LD₅₀, hepatotoxicity, nephrotoxicity) are reported. Recommended storage conditions: powder at -20°C for up to 3 years; in solvent at -80°C for 6 months or -20°C for 1 month, protected from light and moisture .
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| References | |
| Additional Infomation |
- Mechanism of action: Patent WO2021174035 focuses on labeling compositions and systems based on intercellular and intracellular proximity. DBCO Ir catalysts may act as catalysts for bioorthogonal reactions (e.g., copper-free click chemistry), promoting cycloaddition reactions between DBCO and azide groups to achieve specific labeling [1]. - Applications: This catalyst can be used for in situ labeling and imaging of biomolecules (e.g., proteins, nucleic acids) in living organisms, or for constructing targeted drug delivery systems [1]. - Technological advantages: The DBCO moiety has high reactivity and biocompatibility. When combined with Ir catalysts, it can achieve efficient catalysis under physiological conditions, making it suitable for molecular manipulation in complex biological environments [1].
DBCO Ir Catalyst (CAS: 2695594-15-9) has a molecular formula of C₆₁H₄₂F₁₀IrN₇O₇ and a molecular weight of 1367.23 g/mol . The compound appears as a light yellow to yellow solid powder, with a tPSA of 208 Ų, 3 hydrogen bond donors, and 23 hydrogen bond acceptors . It is soluble in DMSO and has a complexity rating of 2650 . The InChI Key is ATVLLOMWKVEGFW-UHFFFAOYSA-M . The compound is covered in patent WO2021174035 (Intercellular and intracellular proximity-based labeling compositions and systems) . Technical advantages include: the DBCO moiety exhibits high reactivity and biocompatibility, enabling efficient catalysis under physiological conditions, making it suitable for molecular manipulation in complex biological environments . |
| Molecular Formula |
C61H42F10IRN7O7
|
|---|---|
| Molecular Weight |
1367.23
|
| Exact Mass |
1367.2615
|
| CAS # |
2695594-15-9
|
| PubChem CID |
171364468
|
| Appearance |
Solid powder ; Light yellow to yellow
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
23
|
| Rotatable Bond Count |
10
|
| Heavy Atom Count |
86
|
| Complexity |
2650
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=CC(=NC=C1)C2=NC=CC(=C2)CCC(=O)NCCNC(=O)CCC(=O)N3CC4=CC=CC=C4C#CC5=CC=CC=C53.C1=[C-]C(=C(C=C1F)F)C2=NC=C(C(=C2)C(=O)O)C(F)(F)F.C1=[C-]C(=C(C=C1F)F)C2=NC=C(C(=C2)C(=O)[O-])C(F)(F)F.[Ir+3]
|
| InChi Key |
ATVLLOMWKVEGFW-UHFFFAOYSA-M
|
| InChi Code |
InChI=1S/C35H33N5O3.2C13H5F5NO2.Ir/c1-25-16-18-36-30(22-25)31-23-26(17-19-37-31)10-13-33(41)38-20-21-39-34(42)14-15-35(43)40-24-29-8-3-2-6-27(29)11-12-28-7-4-5-9-32(28)40;2*14-6-1-2-7(10(15)3-6)11-4-8(12(20)21)9(5-19-11)13(16,17)18;/h2-9,16-19,22-23H,10,13-15,20-21,24H2,1H3,(H,38,41)(H,39,42);2*1,3-5H,(H,20,21);/q;2*-1;+3/p-1
|
| Chemical Name |
4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-N-[2-[3-[2-(4-methylpyridin-2-yl)pyridin-4-yl]propanoylamino]ethyl]-4-oxobutanamide;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine-4-carboxylate;2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine-4-carboxylic acid;iridium(3+)
|
| Synonyms |
DBCO Ir catayst;
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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: (1). Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 | 0.7314 mL | 3.6570 mL | 7.3141 mL | |
| 5 mM | 0.1463 mL | 0.7314 mL | 1.4628 mL | |
| 10 mM | 0.0731 mL | 0.3657 mL | 0.7314 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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