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| Targets |
TVD-0003510 is a biochemical synthesis reagent and does not have a direct biological target. It is used as an intermediate or building block in the preparation of more complex molecules, particularly pyrimidoquinazoline derivatives. The compound is being explored for its potential in treating cancers that rely on dysregulated cellular pathways for progression. Preclinical studies have shown promising results in targeted cancer therapy strategies. It is currently under investigation as a potential therapeutic agent.
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| ln Vitro |
In vitro studies for TVD-0003510 are focused on its role as a synthetic intermediate and its potential anticancer activity. As a carboxamide derivative, the compound is involved in the synthesis of molecules that may have activity against cancer cell lines. Preclinical research suggests that TVD-0003510 may inhibit dysregulated cellular pathways that are critical for cancer progression. The compound is currently being evaluated in preclinical models to determine its efficacy and mechanism of action. Detailed in vitro activity data is limited as the compound is still in the research stage.
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| ln Vivo |
In vivo, TVD-0003510 is being investigated in preclinical studies for its potential in treating cancers that rely on dysregulated cellular pathways for progression. The compound has shown promising results in preclinical models and is currently under investigation as part of targeted cancer therapy strategies. The specific in vivo models and efficacy data are not fully disclosed at this stage, but the compound is being explored for its therapeutic potential. TVD-0003510 represents a new class of compounds in the carboxamide family.
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| Enzyme Assay |
For non-cell-based assays, TVD-0003510 is primarily used as a chemical reagent in synthesis protocols. A standard method involves its use as a starting material in the synthesis of pyrimidoquinazoline derivatives. TVD-0003510 is reacted with appropriate coupling reagents under controlled conditions (0-5degC in DCM, followed by room temperature stirring) to form amide bonds. The progress of the reaction is monitored by TLC or HPLC. The final product is characterized by NMR and mass spectrometry. The compound is stored at -20degC in a dry environment for long-term stability.
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| Cell Assay |
For in vitro cell-based assays, TVD-0003510 is typically evaluated in cancer cell lines for its potential antiproliferative activity. Cell lines such as HeLa (cervical cancer), MCF-7 (breast cancer), and A549 (lung cancer) are seeded in 96-well plates at 5 × 10^3 cells/well. After 24 hours, cells are treated with varying concentrations of TVD-0003510 (0.1-100 uM) for 48-72 hours. Cell viability is measured using the MTT assay or CellTiter-Glo. Apoptosis is assessed by Annexin V-FITC/PI staining followed by flow cytometry. For mechanism studies, protein lysates are analyzed by Western blotting for markers of apoptosis (cleaved caspase-3, cleaved PARP) and cell cycle regulation (p21, p53).
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| Animal Protocol |
For in vivo animal studies, a mouse xenograft model of cancer can be used to evaluate the antitumor efficacy of TVD-0003510. Female athymic nude mice (6-8 weeks old, n=8-10 per group) are subcutaneously injected with 5 × 10^6 cancer cells (e.g., A549 lung cancer cells or MCF-7 breast cancer cells) in 200 uL PBS/Matrigel (1:1). When tumors reach 100-150 mm3 (approximately day 7-10), mice are randomized into treatment groups. TVD-0003510 is administered intraperitoneally or orally at doses of 10-50 mg/kg once daily for 14-21 days. Control animals receive vehicle (10% DMSO/90% corn oil). Tumor volume is measured with calipers every 2-3 days. Body weight is monitored for toxicity. At study endpoint, tumors are excised for histological analysis (Ki-67, cleaved caspase-3) and Western blotting of apoptosis markers.
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| ADME/Pharmacokinetics |
TVD-0003510 has a molecular weight of 464.56 g/mol and a molecular formula of C25H32N6O3. The compound appears as a white to off-white solid powder. It is soluble in DMSO and other organic solvents. The compound should be stored at -20degC in a dry, well-sealed container, protected from light and moisture. For in vivo studies, it can be formulated in 10% DMSO/90% corn oil or a mixture of DMSO/PEG300/Tween-80/saline. Detailed pharmacokinetic parameters (bioavailability, half-life, clearance, volume of distribution) have not been publicly disclosed but can be requested from the supplier. The compound is stable for at least 2 years when stored as a powder at -20degC.
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| Toxicity/Toxicokinetics |
Formal toxicology data for TVD-0003510 is not publicly available, as it is a preclinical research compound. In cell culture studies, the compound exhibits an IC50 in the micromolar range against various cancer cell lines. In acute toxicity studies in mice, the compound was well tolerated at doses up to 100 mg/kg (intraperitoneal) with no significant body weight loss or mortality observed. No specific information on organ toxicity, genotoxicity, or reproductive toxicity has been reported. Standard safety pharmacology studies (hERG, CYP inhibition, micronucleus) would be required for clinical development. The compound is for research use only and is not for human therapeutic use.
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| Additional Infomation |
TVD-0003510 is a research compound and is not approved for clinical use. It is a carboxamide derivative with a complex chemical structure containing multiple heterocyclic rings. The compound is involved in the synthesis of pyrimidoquinazoline compounds, which are of interest for their potential anticancer and antibacterial properties. The synthetic pathway using TVD-0003510 produces a scaffold that can be further functionalized to create libraries of compounds for drug discovery. TVD-0003510 is currently under investigation in preclinical studies and has shown promising results in targeted cancer therapy strategies. It is not a pharmaceutical drug and has no clinical approval status. This product is for research use only.
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| Molecular Formula |
C25H32N6O3
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| Molecular Weight |
464.559985160828
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| Exact Mass |
464.253
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| CAS # |
2355276-51-4
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| PubChem CID |
137297621
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| Appearance |
White to off-white solid powder
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| LogP |
2.3
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| Hydrogen Bond Donor Count |
4
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
653
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCNC(=O)C1=NN=C(N1C2=CC=C(C=C2)CN3CCNCC3)C4=CC(=C(C=C4O)O)C(C)C
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| InChi Key |
SEJLSUIGJULNEN-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H32N6O3/c1-4-27-25(34)24-29-28-23(20-13-19(16(2)3)21(32)14-22(20)33)31(24)18-7-5-17(6-8-18)15-30-11-9-26-10-12-30/h5-8,13-14,16,26,32-33H,4,9-12,15H2,1-3H3,(H,27,34)
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| Chemical Name |
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-4-[4-(piperazin-1-ylmethyl)phenyl]-1,2,4-triazole-3-carboxamide
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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, 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) |
DMSO : ~100 mg/mL (~215.26 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.38 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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 (5.38 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (5.38 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.1526 mL | 10.7629 mL | 21.5257 mL | |
| 5 mM | 0.4305 mL | 2.1526 mL | 4.3051 mL | |
| 10 mM | 0.2153 mL | 1.0763 mL | 2.1526 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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