| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
Antiproliferative agent-13 targets cellular pathways involved in cancer cell proliferation. It has been studied in the context of synthetic lethality in tumor cells producing 2HG. The compound shows antiproliferative activity against human A375 melanoma cells. Its mechanism of action may involve inhibition of microtubule dynamics or other proliferation-related pathways. Further target identification studies would be needed to fully characterize its molecular target.
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| ln Vitro |
The proliferation of human A375 melanoma cells is affected by antiproliferative agent-13 (0-10 μM; 72 hours) [1].
In vitro, Antiproliferative agent-13 shows potent antiproliferative activity against human A375 melanoma cells with an IC50 of 32.7 nM. It has been evaluated in qHTS for induction of synthetic lethality in tumor cells producing 2HG using the HT-1080-NT fibrosarcoma cell line. The compound demonstrates effectiveness against various cancer types, including drug-resistant tumors. Its activity is consistent with its classification as a microtubule inhibitor. |
| ln Vivo |
In vivo efficacy data for Antiproliferative agent-13 have not been detailed in the available literature. Based on its potent in vitro antiproliferative activity (IC50 = 32.7 nM against A375 cells), the compound has potential for in vivo evaluation in cancer models. Preclinical studies would be required to assess its efficacy, tolerability, and pharmacokinetic properties in animal models. The compound may have applications in studying drug-resistant tumors.
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| Enzyme Assay |
For in vitro kinase or target engagement assays, the specific molecular target of Antiproliferative agent-13 would need to be identified. Based on its activity profile, it may be evaluated in panel screening against a range of kinases or other drug targets using biochemical assays with recombinant proteins and appropriate substrates. Dose-response curves would be generated to determine IC50 values for any identified targets.
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| Cell Assay |
Cell proliferation assay [1]
Cell Types: A375 melanoma cell line Tested Concentrations: 0-10000 nM Incubation Duration: 72 hrs (hours) Experimental Results: Anti-proliferative activity against human A375 melanoma cells with an IC50 value of 32.7 nM. For cell proliferation assays, human A375 melanoma cells are seeded in 96-well plates and treated with Antiproliferative agent-13 at concentrations ranging from 0.001-10 µM for 48-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. IC50 values are calculated by fitting dose-response curves. For qHTS synthetic lethality assays, HT-1080-NT fibrosarcoma cells are used to identify compounds that selectively kill 2HG-producing tumor cells. |
| Animal Protocol |
For in vivo efficacy studies, immunodeficient mice would be implanted with A375 melanoma cells or other cancer cell lines. When tumors reach a predetermined size, mice would be randomized to receive Antiproliferative agent-13 via appropriate routes at doses determined from PK studies. Tumor volumes would be measured twice weekly. At study endpoint, tumors would be collected for histological analysis and biomarker evaluation. However, specific in vivo protocols have not been reported.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Antiproliferative agent-13 have not been characterized in the available literature. The compound has a molecular weight of 382.37 g/mol, suggesting potential for drug-like properties pending formulation development. Standard PK studies including solubility, permeability, half-life, bioavailability, and tissue distribution would be required to support in vivo studies. The compound is typically stored at -20°C for long-term stability.
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| Toxicity/Toxicokinetics |
Toxicological data for Antiproliferative agent-13 have not been reported. As a research compound, it is intended for laboratory use only and is not for human or veterinary use. Standard safety precautions should be followed when handling this compound. Comprehensive toxicology studies would be required before any clinical development. The compound's selectivity for cancer cells over normal cells has not been detailed.
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| References |
[1]. Zhang H, et al. Design, synthesis and characterization of potent microtubule inhibitors with dual anti-proliferative and anti-angiogenic activities. Eur J Med Chem. 2018 Sep 5;157:380-396
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| Additional Infomation |
Antiproliferative agent-13 (compound 16c) is a small molecule with potent antiproliferative activity against human A375 melanoma cells (IC50 = 32.7 nM). It has been evaluated in qHTS for synthetic lethality in 2HG-producing tumor cells. The compound shows effectiveness against various cancer types including drug-resistant tumors. It is classified as a microtubule inhibitor. Antiproliferative agent-13 is a research compound and is not approved for clinical use.
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| Molecular Formula |
C20H18N2O6
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|---|---|
| Molecular Weight |
382.37
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| Exact Mass |
382.116
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| CAS # |
663214-48-0
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| PubChem CID |
3153314
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
28
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| Complexity |
646
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| Defined Atom Stereocenter Count |
0
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| SMILES |
COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4
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| InChi Key |
LLTPNRJVRNURSX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C20H18N2O6/c1-23-16-4-10(5-17(24-2)19(16)25-3)18-11-6-14-15(27-9-26-14)7-13(11)28-20(22)12(18)8-21/h4-7,18H,9,22H2,1-3H3
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| Chemical Name |
6-amino-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile
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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 : ~50 mg/mL (~130.76 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 | 2.6153 mL | 13.0763 mL | 26.1527 mL | |
| 5 mM | 0.5231 mL | 2.6153 mL | 5.2305 mL | |
| 10 mM | 0.2615 mL | 1.3076 mL | 2.6153 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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