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Neosalvianen

Cat No.:V60557 Purity: ≥98%
Neosalvianen is a nitrogen-containing compound that displays cytotoxic activity against HeLa, HepG2, and OVCAR-3 cell lines with IC50 of 63.9 µM, 59.2 µM, and 74.6 µM, respectively.
Neosalvianen
Neosalvianen Chemical Structure CAS No.: 790673-00-6
Product category: Terpenoids
This product is for research use only, not for human use. We do not sell to patients.
Size Price Stock Qty
5mg
10mg
Other Sizes
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Product Description
Neosalvianen is a nitrogen-containing compound that displays cytotoxic activity against HeLa, HepG2, and OVCAR-3 cell lines with IC50 of 63.9 µM, 59.2 µM, and 74.6 µM, respectively.
Neosalvianen (CAS# 790673-00-6) is a nitrogen-containing diterpenoid compound that shows cytotoxic activities against cancer cell lines. It has the molecular formula C₂₁H₂₁NO₂ and a molecular weight of 319.4 g/mol. Neosalvianen displays cytotoxic activity against HeLa (cervical carcinoma), HepG2 (hepatocellular carcinoma), and OVCAR-3 (ovarian carcinoma) cell lines. It is a nitrogen-containing diterpenoid compound with potential anticancer properties.
Biological Activity I Assay Protocols (From Reference)
Targets
Neosalvianen targets cancer cells through cytotoxic mechanisms. The compound exhibits cytotoxic activity against HeLa, HepG2, and OVCAR-3 cell lines, indicating activity against cervical, liver, and ovarian cancer cells. As a nitrogen-containing diterpenoid, it may interact with cellular targets involved in cell proliferation and survival, such as microtubules, topoisomerases, or signaling pathways critical for cancer cell growth. However, specific molecular targets have not been extensively characterized.
ln Vitro
In vitro, Neosalvianen shows cytotoxic activities against multiple cancer cell lines with the following IC₅₀ values: HeLa (cervical carcinoma) at 63.9 µM, HepG2 (hepatocellular carcinoma) at 59.2 µM, and OVCAR-3 (ovarian carcinoma) at 74.6 µM. These results demonstrate that Neosalvianen has moderate cytotoxicity against these cancer cell lines, with the greatest potency against HepG2 cells. The compound is a nitrogen-containing diterpenoid. Further studies are needed to elucidate its mechanism of cytotoxicity and to evaluate its activity against other cancer cell lines.
ln Vivo
In vivo activity data for Neosalvianen are not available in the published literature. The compound has been primarily characterized through in vitro cytotoxicity studies against cancer cell lines. Given its cytotoxic activity against HeLa, HepG2, and OVCAR-3 cells, potential in vivo studies could include xenograft mouse models of cervical, liver, or ovarian cancer to evaluate its antitumor efficacy. However, such studies have not been reported for this compound.
Enzyme Assay
In vitro cytotoxicity assays for Neosalvianen typically involve treating cancer cell lines with varying concentrations of the compound for a specified period (typically 48-72 hours), followed by assessment of cell viability using MTT, SRB, or CCK-8 assays. IC₅₀ values are calculated from dose-response curves. The reported IC₅₀ values for Neosalvianen are 63.9 µM against HeLa cells, 59.2 µM against HepG2 cells, and 74.6 µM against OVCAR-3 cells. The compound's structure can be confirmed by NMR and MS. Purity is ≥98%.
Cell Assay
In vitro cellular assays for Neosalvianen typically involve evaluation of cytotoxicity in cancer cell lines including HeLa, HepG2, and OVCAR-3. Cells are cultured in appropriate media and treated with serial dilutions of the compound for 48-72 hours. Cell viability is assessed using MTT, SRB, or CCK-8 assays, and IC₅₀ values are calculated from dose-response curves. Apoptosis induction can be confirmed through flow cytometry using Annexin V/PI staining or by measuring caspase activity. The compound is soluble in chloroform, DMSO, and acetone.
Animal Protocol
In vivo animal experiments for Neosalvianen have not been reported in the published literature. Based on its in vitro cytotoxicity against HeLa, HepG2, and OVCAR-3 cell lines, potential in vivo studies would involve subcutaneous or orthotopic xenograft mouse models using these cancer cell lines. Tumor-bearing mice would be treated with Neosalvianen via oral or intraperitoneal administration, and endpoints would include tumor volume measurement, survival analysis, and histopathological examination of tumor tissues. However, such studies have not been published.
ADME/Pharmacokinetics
Pharmacokinetic properties of Neosalvianen have not been characterized. The compound has a molecular weight of 319.4 g/mol and a molecular formula of C₂₁H₂₁NO₂. As a lipophilic nitrogen-containing diterpenoid, it is expected to have reasonable membrane permeability and oral bioavailability. The compound is soluble in chloroform, DMSO, and acetone. Storage: desiccated at -20°C. Purity ≥98%.
Toxicity/Toxicokinetics
The toxicological profile of Neosalvianen has not been extensively documented. The compound's cytotoxic activity against cancer cell lines suggests potential for therapeutic application with manageable toxicity. However, comprehensive toxicological evaluations including normal cell cytotoxicity, acute toxicity, and genotoxicity studies have not been reported. Standard laboratory safety precautions should be followed when handling this compound.
References

[1]. Nitrogen-containing compounds from Salvia miltiorrhiza. J Nat Prod. 2005 Jul;68(7):1066-70.

Additional Infomation
Reports indicate that Danshen and Yunnan Danshen contain new tanshinone, and relevant data is available for reference.
Neosalvianen (CAS# 790673-00-6, molecular formula C₂₁H₂₁NO₂, molecular weight 319.4) is a nitrogen-containing diterpenoid with cytotoxic activity against HeLa (IC₅₀ = 63.9 µM), HepG2 (IC₅₀ = 59.2 µM), and OVCAR-3 (IC₅₀ = 74.6 µM) cell lines. No clinical trials or regulatory approvals have been identified. Purity ≥98%. Storage: desiccated at -20°C.
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C21H21NO2
Molecular Weight
319.396945714951
Exact Mass
319.157228913
CAS #
790673-00-6
PubChem CID
11472648
Appearance
Typically exists as solid at room temperature
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Heavy Atom Count
24
Complexity
506
Defined Atom Stereocenter Count
0
SMILES
CC1=COC2=C1C3=C(C4=C2C=CC5=C4CCCC5(C)C)OC(=N3)C
InChi Key
XIEAHUZPQQITDN-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H21NO2/c1-11-10-23-19-14-7-8-15-13(6-5-9-21(15,3)4)17(14)20-18(16(11)19)22-12(2)24-20/h7-8,10H,5-6,9H2,1-4H3
Chemical Name
5,9,17,17-tetramethyl-3,10-dioxa-8-azapentacyclo[10.8.0.02,6.07,11.013,18]icosa-1(12),2(6),4,7(11),8,13(18),19-heptaene
HS Tariff Code
2934.99.9001
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)
Solubility Data
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
(e.g. IP/IV/IM/SC)
Injection Formulation 1: DMSO : Tween 80: Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution 50 μL Tween 80 850 μL Saline)
*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 : PEG300Tween 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).
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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)]
*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.
Injection Formulation 5: 2-Hydroxypropyl-β-cyclodextrin : Saline = 50 : 50 (i.e. 500 μL 2-Hydroxypropyl-β-cyclodextrin 500 μL Saline)
Injection Formulation 6: DMSO : PEG300 : castor oil : Saline = 5 : 10 : 20 : 65 (i.e. 50 μL DMSO 100 μLPEG300 200 μL castor oil 650 μL Saline)
Injection Formulation 7: Ethanol : Cremophor : Saline = 10: 10 : 80 (i.e. 100 μL Ethanol 100 μL Cremophor 800 μL Saline)
Injection Formulation 8: Dissolve in Cremophor/Ethanol (50 : 50), then diluted by Saline
Injection Formulation 9: EtOH : Corn oil = 10 : 90 (i.e. 100 μL EtOH 900 μL Corn oil)
Injection Formulation 10: EtOH : PEG300Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL EtOH 400 μLPEG300 50 μL Tween 80 450 μL 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).
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Oral Formulation 3: Dissolved in PEG400
Oral Formulation 4: Suspend in 0.2% Carboxymethyl cellulose
Oral Formulation 5: Dissolve in 0.25% Tween 80 and 0.5% Carboxymethyl cellulose
Oral Formulation 6: Mixing with food powders


Note: Please be aware that the above formulations are for reference only. InvivoChem strongly recommends customers to read literature methods/protocols carefully before determining which formulation you should use for in vivo studies, as different compounds have different solubility properties and have to be formulated differently.

 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.1309 mL 15.6544 mL 31.3087 mL
5 mM 0.6262 mL 3.1309 mL 6.2617 mL
10 mM 0.3131 mL 1.5654 mL 3.1309 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.

Calculator

Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

  • Calculate the Mass of a compound required to prepare a solution of known volume and concentration
  • Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
  • Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume
An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?
  • Enter 350.26 in the Molecular Weight (MW) box
  • Enter 10 in the Concentration box and choose the correct unit (mM)
  • Enter 5 in the Volume box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:
  • Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
  • Enter 25 into the Concentration (End) box and select the correct unit (mM)
  • Enter 25 into the Volume (End) box and choose the correct unit (mL)
  • Click the “Calculate” button
  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
Instructions to calculate molar mass (molecular weight) of a chemical compound:
  • To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.
Definitions of molecular mass, molecular weight, molar mass and molar weight:
  • Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
  • Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.
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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

  • Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
  • Click the “Calculate” button
  • The answer appears in the Volume (to add to vial) box
In vivo Formulation Calculator (Clear solution)
Step 1: Enter information below (Recommended: An additional animal to make allowance for loss during the experiment)
Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)
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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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