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| Targets |
Neoprzewaquinone A targets PIM1 kinase, a serine/threonine kinase involved in cell survival, proliferation, and migration. By targeting PIM1, the compound blocks the ROCK2/STAT3 signaling pathway. PIM1 is overexpressed in various cancers, including breast cancer, and promotes tumor progression through multiple mechanisms. Neoprzewaquinone A selectively inhibits PIM1 at nanomolar concentrations. The compound also promotes smooth muscle relaxation. The ROCK2/STAT3 pathway is involved in cell migration, epithelial-mesenchymal transition (EMT), and cancer metastasis. By blocking this pathway, Neoprzewaquinone A inhibits breast cancer cell migration and suppresses tumor aggressiveness.
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| ln Vitro |
In vitro, Neoprzewaquinone A (NEO) selectively inhibits PIM1 kinase at nanomolar concentrations. The compound significantly inhibits the growth, migration, and epithelial-mesenchymal transition (EMT) of the triple-negative breast cancer cell line MDA-MB-231 in vitro. By targeting PIM1 and blocking the ROCK2/STAT3 pathway, the compound reduces breast cancer cell migration and promotes smooth muscle relaxation. The compound's activity is concentration-dependent, with efficacy observed at nanomolar concentrations. These in vitro data support the potential of Neoprzewaquinone A as a therapeutic agent for breast cancer, particularly for aggressive triple-negative breast cancer subtypes.
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| ln Vivo |
In vivo data for Neoprzewaquinone A are not extensively reported in the available literature. As a natural product isolated from Salvia miltiorrhiza with potent in vitro anti-cancer activity, the compound would be expected to demonstrate efficacy in animal models of breast cancer. Standard in vivo studies would involve xenografts of MDA-MB-231 or other breast cancer cell lines in immunocompromised mice. The compound's ability to inhibit breast cancer cell migration and promote smooth muscle relaxation suggests potential applications in cancer metastasis prevention. However, detailed in vivo efficacy, pharmacokinetic, and toxicological data require further investigation from primary research publications.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cellular) assays for Neoprzewaquinone A involve measuring inhibition of PIM1 kinase activity using purified recombinant PIM1 enzyme. Kinase assays typically use a radioactive (³³P-ATP) or fluorescence-based method to detect phosphorylation of a peptide substrate. The enzyme is incubated with varying concentrations of the compound, ATP, and substrate in kinase assay buffer (typically 50 mM HEPES, pH 7.5, with 10 mM MgCl₂ and 1 mM DTT). The reaction is terminated, and phosphorylated substrate is quantified. IC₅₀ values are calculated from concentration-response curves. The compound shows potent inhibition at nanomolar concentrations. Selectivity profiling against other kinases may be performed to confirm specificity.
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| Cell Assay |
In vitro cellular experiments with Neoprzewaquinone A are performed using triple-negative breast cancer cell lines such as MDA-MB-231. Cells are cultured in appropriate media (e.g., DMEM with 10% FBS) and treated with varying concentrations of the compound for 24-72 hours. Cell viability and proliferation are assessed using MTT or CellTiter-Glo assays. Cell migration is evaluated using wound-healing or transwell migration assays. Epithelial-mesenchymal transition (EMT) markers such as E-cadherin, N-cadherin, and vimentin are assessed by Western blot or immunofluorescence. ROCK2/STAT3 pathway activation is measured by Western blot analysis using phospho-specific antibodies. Cells are maintained at 37°C in 5% CO₂ with appropriate media supplements.
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| Animal Protocol |
In vivo animal studies with Neoprzewaquinone A have not been extensively reported. For breast cancer research, standard in vivo models include xenografts of MDA-MB-231 or other breast cancer cell lines in immunocompromised mice (e.g., NSG or NOD/SCID mice). Mice are injected with cancer cells via subcutaneous or orthotopic implantation, and after tumor establishment, treated with Neoprzewaquinone A via oral, intraperitoneal, or intravenous administration at various doses and schedules. Efficacy is assessed by measuring tumor volume, weight, metastasis, and histopathological examination. Pharmacodynamic markers such as PIM1 inhibition, ROCK2/STAT3 pathway phosphorylation, and EMT markers in tumor tissues may be measured to confirm target engagement. Further studies are needed to establish in vivo efficacy.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of Neoprzewaquinone A are not extensively characterized. The compound has molecular formula C₃₆H₂₈O₆ and molecular weight 556.60 g/mol. It has a melting point of 188-189°C and density of 1.36 g/cm³ (predicted). Solubility: DMSO at 4.5 mg/mL (8.08 mM). Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year. Shipping with blue ice or at ambient temperature. The compound should be kept away from direct sunlight and moisture. As a natural product with molecular weight 556.60, it is expected to have moderate oral bioavailability. Detailed pharmacokinetic parameters require further investigation.
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| Toxicity/Toxicokinetics |
Toxicological information for Neoprzewaquinone A is not extensively detailed in the available literature. As a natural product isolated from Salvia miltiorrhiza, it is generally considered to have a favorable safety profile typical of herbal constituents. However, as a potent PIM1 inhibitor with anti-cancer activity, it should be handled with appropriate safety precautions. Standard safety guidelines for handling research chemicals apply, including use of personal protective equipment (gloves, safety goggles, lab coat) and working in a well-ventilated area. The compound is intended for research use only and is not approved for human therapeutic use. Purity: ≥98%. Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year.
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| References | |
| Additional Infomation |
It has been reported that (2Z)-2,11,28-trimethyl-19-methylene-13,30-dioxaheptacyclo[21.11.0.06,18.07,15.010,14.024,32.027,31]tritetradecane-1(23),2,6(18),7(15),10(14),11,16,24(32),27(31),28,33-undecene-8,9,25,26-tetraone has been found in sage (Salvia przewalskii).
Neoprzewaquinone A (CAS 630057-39-5) is a natural product isolated from the roots of Salvia miltiorrhiza (Danshen). The compound has molecular formula C₃₆H₂₈O₆ and molecular weight 556.60 g/mol. Neoprzewaquinone A (NEO) is an active ingredient that inhibits breast cancer cell migration and promotes smooth muscle relaxation by targeting PIM1 and blocking the ROCK2/STAT3 pathway. It selectively inhibits PIM1 kinase at nanomolar concentrations and significantly inhibits the growth, migration, and EMT of triple-negative breast cancer cells. Also known as 甘西鼠尾新酮A. Purity: ≥98%. Storage: powder at -20°C for 3 years; in solvent at -80°C for 1 year. |
| Molecular Formula |
C36H28O6
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|---|---|
| Molecular Weight |
556.6039
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| Exact Mass |
556.188
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| CAS # |
630057-39-5
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| PubChem CID |
124222343
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| Appearance |
Light brown to brown solid powder
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| Density |
1.4±0.1 g/cm3
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| Boiling Point |
799.2±60.0 °C at 760 mmHg
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| Flash Point |
411.7±25.6 °C
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| Vapour Pressure |
0.0±2.8 mmHg at 25°C
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| Index of Refraction |
1.678
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| LogP |
9.02
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
0
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| Heavy Atom Count |
42
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| Complexity |
1220
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C/C/1=C/CCC2=C(C=CC3=C2C(=O)C(=O)C4=C3OC=C4C)C(=C)CCCC5=C1C=CC6=C5C(=O)C(=O)C7=C6OC=C7C
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| InChi Key |
SXQCYGZVSVUMEL-LSCVHKIXSA-N
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| InChi Code |
InChI=1S/C36H28O6/c1-17-7-5-9-24-22(12-14-26-30(24)34(40)32(38)28-20(4)16-42-36(26)28)18(2)8-6-10-23-21(17)11-13-25-29(23)33(39)31(37)27-19(3)15-41-35(25)27/h8,11-16H,1,5-7,9-10H2,2-4H3/b18-8-
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| Chemical Name |
(2Z)-2,11,28-trimethyl-19-methylidene-13,30-dioxaheptacyclo[21.11.0.06,18.07,15.010,14.024,32.027,31]tetratriaconta-1(23),2,6(18),7(15),10(14),11,16,24(32),27(31),28,33-undecaene-8,9,25,26-tetrone
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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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 | 1.7966 mL | 8.9831 mL | 17.9662 mL | |
| 5 mM | 0.3593 mL | 1.7966 mL | 3.5932 mL | |
| 10 mM | 0.1797 mL | 0.8983 mL | 1.7966 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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