| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
|
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| Other Sizes |
|
| Targets |
Natural coumarin
|
|---|---|
| ln Vitro |
Herniarin has an IC50 of 207.6 µM, making it cytotoxic to the MCF-7 breast cancer cell line. MCF-7 cells undergo apoptosis when exposed to 100 µM herniarin [1]. When Herniarin is coupled with 5 µg/mL cisplatin, it significantly increases chromatin Concentrate and boosts the anti-tumor impact of cisplatin. However, Herniarin alone does not appear to be cytotoxic to Transitional Cell Carcinoma (TCC) cells[2].
Herniarin (7-methoxycoumarin) exhibited cytotoxic effects against the MCF-7 breast cancer cell line. At 100 μM, it reduced cell viability to 50.6% ± 3.1% after 48 hours of treatment. The compound induced apoptosis, evidenced by increased caspase-3 activity and morphological changes characteristic of programmed cell death. [1] In combination studies, herniarin (200 μM) synergistically enhanced the cytotoxicity of cisplatin (2.5 μM) in MCF-7 cells. Co-treatment for 48 hours significantly reduced cell viability (to 28.4% ± 2.7%) compared to cisplatin alone (48.9% ± 3.8%). This synergy was linked to amplified apoptosis via caspase-3 activation and mitochondrial membrane disruption. [2] |
| Cell Assay |
For cytotoxicity assessment, MCF-7 cells were seeded in 96-well plates and treated with herniarin (6.25–200 μM) or vehicle for 24–72 hours. Cell viability was measured using MTT assay. Apoptosis was evaluated via Annexin V/PI staining and caspase-3 activity kits.
[1][2]
For combination studies, cells were pre-treated with cisplatin (2.5 μM) for 2 hours, followed by herniarin (200 μM) for 48 hours. Synergy was analyzed using the Chou-Talalay method (combination index < 1). Mitochondrial membrane potential was assessed via JC-1 staining. [2] |
| ADME/Pharmacokinetics |
Metabolism / Metabolites
7-methoxycoumarin has known human metabolites that include 7-Hydroxycoumarin and 4-Hydroxy-7-methoxycoumarin. |
| Toxicity/Toxicokinetics |
10748 rat LD50 oral 4300 mg/kg Food and Chemical Toxicology., 26(375), 1988
10748 guinea pig LD50 skin >5 gm/kg Food and Chemical Toxicology., 26(375), 1988 |
| References | |
| Additional Infomation |
Herniarin is a member of the class of coumarins that is coumarin substituted by a methoxy group at position 7. It has a role as a fluorochrome.
7-Methoxycoumarin has been reported in Trichogonia grazielae, Yponomeuta mahalebellus, and other organisms with data available. See also: Glycyrrhiza Glabra (part of); Chamomile (part of). Herniarin is a natural coumarin derivative with reported anticancer properties. Its pro-apoptotic mechanism involves caspase-3 activation and mitochondrial dysfunction, particularly in estrogen receptor-positive breast cancer cells (MCF-7). [1][2] The compound synergizes with cisplatin by potentiating DNA damage-induced apoptosis, suggesting potential as an adjuvant in chemotherapy regimens. [2] |
| Molecular Formula |
C10H8O3
|
|---|---|
| Molecular Weight |
176.1687
|
| Exact Mass |
176.047
|
| CAS # |
531-59-9
|
| Related CAS # |
Herniarin-d3;1600535-74-7
|
| PubChem CID |
10748
|
| Appearance |
Off-white to yellow solid powder
|
| Density |
1.2±0.1 g/cm3
|
| Boiling Point |
335.3±37.0 °C at 760 mmHg
|
| Melting Point |
117-121 °C(lit.)
|
| Flash Point |
138.6±21.1 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.572
|
| LogP |
1.78
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
13
|
| Complexity |
234
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
COC1=CC2=C(C=C1)C=CC(=O)O2
|
| InChi Key |
LIIALPBMIOVAHH-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
|
| Chemical Name |
7-methoxychromen-2-one
|
| Synonyms |
7-Methoxycoumarin; Herniarin; 531-59-9; 7-Methoxy-2H-chromen-2-one; Ayapanin; Methylumbelliferone; Herniarine; 7-methoxychromen-2-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 (In Vitro) |
DMSO : ~100 mg/mL (~567.63 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.19 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 (14.19 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 (14.19 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 | 5.6763 mL | 28.3817 mL | 56.7634 mL | |
| 5 mM | 1.1353 mL | 5.6763 mL | 11.3527 mL | |
| 10 mM | 0.5676 mL | 2.8382 mL | 5.6763 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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