| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg |
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| 10mg | |||
| Other Sizes |
| Targets |
None (excipient). This compound is an ionizable lipid-like material designed for mRNA delivery. It is not known to have a specific protein target; it functions by forming LNPs with mRNA, facilitating cellular uptake and endosomal escape in a pH-dependent manner.
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|---|---|
| ln Vitro |
The compound self-assembles with mRNA to form LNPs capable of delivering mRNA to cells. In vitro studies with TT3 analogues (the parent compound) demonstrate high transfection efficiency and low cytotoxicity. The benzene-1,3,5-tricarboxamide core enables hydrogen bonding and pi-pi stacking, stabilizing nanoparticle structure and enhancing mRNA encapsulation.
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| ln Vivo |
The TT3 parent compound, which this compound is an analogue of, has been used to form LNPs for mRNA delivery in vivo. Following intravenous administration, TT3 LNPs efficiently deliver mRNA to the liver and other tissues, resulting in robust protein expression. This analogue is expected to show similar in vivo performance.
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| Enzyme Assay |
N1,N3,N5-Tris(4-dodecylhexadecyl)benzene-1,3,5-tricarboxamide (C₉3H1₇₇N3O3, MW 1385.42) is an off-white to light yellow ointment. For LNP preparation, it is dissolved in ethanol (∼10-50 mg/mL) with helper lipids (e.g., DSPC, cholesterol, PEG-lipid). This mixture is combined with an acidic aqueous buffer containing mRNA (e.g., in 25-50 mM sodium acetate, pH 4) via microfluidic mixing at a flow rate ratio of 3:1 (aqueous:ethanol). LNPs form spontaneously with sizes of 50-150 nm. Ethanol is removed by dialysis, and pH is raised to 7.4. Encapsulation efficiency (>90%) is measured using Ribogreen assay, and pKa is determined using TNS fluorescence.
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| Cell Assay |
The compound is dissolved in DMSO or ethanol to prepare stock solutions (10-50 mg/mL) and diluted in cell culture media (final DMSO <0.5%). Cells (e.g., HEK293, HeLa, HepG2) are seeded in 96- or 24-well plates (1-5×10⁴ cells/well) and treated with LNPs encapsulating reporter mRNA (GFP, luciferase) at mRNA doses of 0.01-1 ug/well for 4-6 h. After replacing media, reporter gene expression is measured 24-48 h post-transfection: luciferase activity via luminescence; GFP expression via flow cytometry. Cellular uptake is assessed by Cy5-labeled mRNA and flow cytometry. Cytotoxicity is evaluated by MTT assay.
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| Animal Protocol |
For in vivo studies (based on the TT3 parent compound), LNPs containing the compound and luciferase mRNA are administered intravenously via the tail vein to female BALB/c or C57BL/6 mice (6-8 weeks old) at mRNA doses of 0.2-1 mg/kg. Bioluminescence imaging is performed 6-24 h post-dose. For biodistribution, mice are euthanized 24-72 h post-dose, and tissues (liver, spleen, lung, kidney) are harvested for ex vivo imaging, qRT-PCR for mRNA distribution, and H&E histology. Blood samples are collected for serum cytokine analysis (IL-6, TNF-alpha).
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| ADME/Pharmacokinetics |
No detailed PK data for this specific compound has been reported. Based on the TT3 parent compound, LNPs are expected to have a circulation half-life of 2-5 hours following i.v. administration, with predominant accumulation in the liver (∼50-70% of dose) and spleen (∼10-20%). The compound is an ionizable lipid-like material; its metabolism likely involves hydrolysis of amide bonds or oxidation of alkyl tails, leading to clearance via biliary and renal routes. PK parameters are not publicly available.
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| Toxicity/Toxicokinetics |
No toxicity data for this specific compound has been reported. Based on the TT3 parent compound, LNPs are generally well-tolerated at therapeutic mRNA doses (0.2-1 mg/kg i.v.) in mice, with no significant changes in body weight or serum biomarkers (ALT, AST, creatinine). Mild, transient cytokine elevation (IL-6, TNF-alpha) may occur. The long alkyl tails (C12-C16) may increase accumulation in adipose tissue upon repeat dosing, but this has not been studied.
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| References | |
| Additional Infomation |
This compound (CAS 2922283-38-1, C₉3H1₇₇N3O3, MW 1385.42) has ≥98% purity and is an off-white to light yellow ointment. Storage at -20degC is recommended. It is an analogue of TT3, a TRIS-derived lipid-like material for mRNA delivery. No clinical trials or regulatory approvals have been reported; it is for research use only. The benzene-tricarboxamide core with three long hydrophobic tails provides a branched architecture that may enhance mRNA encapsulation and delivery efficiency.
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| Molecular Formula |
C93H177N3O3
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|---|---|
| Molecular Weight |
1385.41880965233
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| Exact Mass |
1384.378
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| CAS # |
2922283-38-1
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| Related CAS # |
TT3;1821214-50-9
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| PubChem CID |
163196448
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| Appearance |
Off-white to light yellow ointment
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| LogP |
41.6
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
81
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| Heavy Atom Count |
99
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| Complexity |
1360
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCCCCCCCCCCCC(CCCCCCCCCCCC)CCCNC(=O)C1=CC(=CC(=C1)C(=O)NCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC)C(=O)NCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC
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| InChi Key |
DQAMJJULADYTQN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C93H177N3O3/c1-7-13-19-25-31-37-43-49-55-61-70-85(71-62-56-50-44-38-32-26-20-14-8-2)76-67-79-94-91(97)88-82-89(92(98)95-80-68-77-86(72-63-57-51-45-39-33-27-21-15-9-3)73-64-58-52-46-40-34-28-22-16-10-4)84-90(83-88)93(99)96-81-69-78-87(74-65-59-53-47-41-35-29-23-17-11-5)75-66-60-54-48-42-36-30-24-18-12-6/h82-87H,7-81H2,1-6H3,(H,94,97)(H,95,98)(H,96,99)
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| Chemical Name |
1-N,3-N,5-N-tris(4-dodecylhexadecyl)benzene-1,3,5-tricarboxamide
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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: ~100 mg/mL (~72.2 mM; with ultrasonication and warming by heating to 60°C)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (1.80 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), Clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (1.80 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. Solubility in Formulation 3: ≥ 2.5 mg/mL (1.80 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (25.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 0.7218 mL | 3.6090 mL | 7.2180 mL | |
| 5 mM | 0.1444 mL | 0.7218 mL | 1.4436 mL | |
| 10 mM | 0.0722 mL | 0.3609 mL | 0.7218 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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