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Angelicain

Cat No.:V30414 Purity: ≥98%
Angelicain (Norcimifugin) is a component of Cimicifuga foetida and has anti~inflammatory activity.
Angelicain
Angelicain Chemical Structure CAS No.: 49624-66-0
Product category: New2
This product is for research use only, not for human use. We do not sell to patients.
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Product Description
Angelicain (Norcimifugin) is a component of Cimicifuga foetida and has anti~inflammatory activity.
Biological Activity I Assay Protocols (From Reference)
ln Vitro
- Angelicain exhibited cytotoxic activity against several human cancer cell lines. In MTT assays, it inhibited the viability of A549 (human lung adenocarcinoma), HepG2 (human hepatocellular carcinoma), MCF-7 (human breast adenocarcinoma), and HCT116 (human colon carcinoma) cells with IC50 values of 28.5 μM, 35.2 μM, 42.7 μM, and 38.9 μM, respectively. No significant cytotoxicity was observed against normal human lung fibroblast MRC-5 cells (IC50 > 100 μM) [1]
- At concentrations of 20–60 μM, Angelicain dose-dependently reduced the colony formation capacity of A549 and HepG2 cells. For A549 cells, 60 μM Angelicain decreased the colony formation rate by ~65% compared to the untreated control; for HepG2 cells, the reduction was ~58% at the same concentration [1]
Cell Assay
- For MTT-based cytotoxicity assay: Human cancer cells (A549, HepG2, MCF-7, HCT116) and normal MRC-5 cells were seeded in 96-well plates at a density of 5×10³ cells/well and cultured overnight. Angelicain was dissolved in dimethyl sulfoxide (DMSO, final concentration < 0.1%) and added to the wells at concentrations of 10–100 μM. After incubation for 48 h, MTT reagent was added to each well, and the mixture was incubated for another 4 h. The formazan crystals were dissolved with DMSO, and the absorbance at 570 nm was measured using a microplate reader. IC50 values were calculated by fitting the dose-response curves with a linear regression model [1]
- For colony formation assay: A549 and HepG2 cells were seeded in 6-well plates at a density of 2×10³ cells/well. After 24 h of attachment, Angelicain (20, 40, 60 μM) was added, and the cells were cultured for 14 days. The medium was changed every 3 days. At the end of culture, cells were fixed with 4% paraformaldehyde for 15 minutes, stained with 0.1% crystal violet for 30 minutes, and washed with distilled water. Visible colonies (≥50 cells) were counted under a light microscope, and the colony formation rate was calculated as (number of colonies in treatment group / number of colonies in control group) × 100% [1]
References

[1]. Studies on the constituents of Cimicifuga foetida collected in Guizhou Province and their cytotoxic activities. Chem Pharm Bull (Tokyo). 2012;60(5):571-7.

Additional Infomation
Oligosin is a triterpenoid compound isolated from the root of Cimicifuga foetida, a traditional Chinese medicine from Guizhou Province, China, which has anti-inflammatory and antipyretic effects [1]. Oligosin exhibits cytotoxic activity against cancer cells (with lower toxicity to normal cells), suggesting its potential as a lead compound for anticancer drugs. However, this study did not explore its potential mechanisms (e.g., induction of apoptosis, cell cycle arrest) [1].
These protocols are for reference only. InvivoChem does not independently validate these methods.
Physicochemical Properties
Molecular Formula
C15H16O6
Molecular Weight
292.28394
Exact Mass
292.094
CAS #
49624-66-0
PubChem CID
46240156
Appearance
White to off-white solid powder
Density
1.5±0.1 g/cm3
Boiling Point
534.1±50.0 °C at 760 mmHg
Flash Point
203.4±23.6 °C
Vapour Pressure
0.0±1.5 mmHg at 25°C
Index of Refraction
1.643
LogP
1.69
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
2
Heavy Atom Count
21
Complexity
471
Defined Atom Stereocenter Count
1
SMILES
CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)CO)O
InChi Key
FHCHSXPHLRBEBR-LBPRGKRZSA-N
InChi Code
InChI=1S/C15H16O6/c1-15(2,19)12-4-8-10(21-12)5-11-13(14(8)18)9(17)3-7(6-16)20-11/h3,5,12,16,18-19H,4,6H2,1-2H3/t12-/m0/s1
Chemical Name
(2S)-4-hydroxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-5-one
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

Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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 Vitro)
DMSO : ~100 mg/mL (~342.14 mM)
Solubility (In Vivo)
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.55 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 (8.55 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.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (8.55 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.


 (Please use freshly prepared in vivo formulations for optimal results.)
Preparing Stock Solutions 1 mg 5 mg 10 mg
1 mM 3.4214 mL 17.1069 mL 34.2138 mL
5 mM 0.6843 mL 3.4214 mL 6.8428 mL
10 mM 0.3421 mL 1.7107 mL 3.4214 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:

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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
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  • Enter 5 in the Volume box and choose the correct unit (mL)
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  • 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:
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  • The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box
g/mol

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Note: Chemical formula is case sensitive: C12H18N3O4  c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:
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  • 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.

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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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