CAS Number531-59-9
SynonymsHerniarin; 7-Methoxycoumarin; Methyl umbelliferyl ether; EINECS 208-513-3; 7-methoxychromen-2-one; 7-Methoxy-2H-chromen-2-one; MFCD00006876
Molecular FormulaC10H8O3
Molecular Weight176.17
Purity≥98%
Density1.2±0.1 g/cm3
Boiling Point335.3±37.0 °C at 760 mmHg
Melting Point115-121 °C
Appearancebeige powder
EINECS208-513-3
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 531-59-9 |
| Catalog No. | 2A-9022570 |
| Chinese Name | 7-甲氧基香豆素 |
| Synonyms | Herniarin; 7-Methoxycoumarin; Methyl umbelliferyl ether; EINECS 208-513-3; 7-methoxychromen-2-one; 7-Methoxy-2H-chromen-2-one; MFCD00006876 |
| Molecular Formula | C10H8O3 |
| Molecular Weight | 176.17 |
| Purity | ≥98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 335.3±37.0 °C at 760 mmHg |
| Melting Point | 115-121 °C |
| Appearance | beige powder |
| Water Solubility | MISCIBLE |
| Storage Condition | Store in a cool, dry, well-ventilated warehouse. K |
| Application | Herniarin is a natural coumarin compound commonly found in flowering plants and has anti-tumor effects. |
| EINECS | 208-513-3 |
| HTC | 2932209090 |
| PubChem ID | 24901917 |
| MDL Number | MFCD00006876 |
| SMILES | COc1ccc2C=CC(=O)Oc2c1 |
| InChI | 1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3 |
| InChI Key | LIIALPBMIOVAHH-UHFFFAOYSA-N |
| Beilstein/REAXYS | 141728 |
| NACRES Code | NA.21 |
| UNSPSC | 12164502 |
| Hazard Symbols | Transport |
| MSDS | msds/22570_1_531_59_9.pdf |
| Bioactivity | Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect. Related Catalog Signaling Pathways >> Others >> Others Natural Products >> Phenylpropanoids Research Areas >> Cancer In Vitro Herniarin is cytotoxic to breast carcinoma cell line MCF-7 with an IC50 of 207.6 µM. Herniarin (100 µM) also induces apoptosis in MCF-7 cells[1]. Herniarin alone has no obvious cytotoxicity on transitional cell carcinoma (TCC) cells, but when in combination with 5 µg/mL cisplatin, Herniarin (80 µg/mL) potently enhances the antitumor effect of cisplatin, and increases chromatin condensation[2]. Cell Assay Briefly, the cells are seeded (104 cells per well) onto flat-bottomed 96-well culture plates and allowed to grow 72 h after treatment with various concentration of auraptene, Herniarin, umbelliferone, and umbelliprenin. After removing the medium, MTT solution (5 mg/mL in PBS) is added and incubated for 4 h and the resulting formazan is solubilized with DMSO (100 mL). The absorption is measured at 570 nm (620 nm as a reference) in an ELISA reader[1]. References [1]. Mousavi SH, et al. Comparative analysis of the cytotoxic effect of 7-prenyloxycoumarin compounds and herniarin on MCF-7 cell line. Avicenna J Phytomed. 2015 Nov-Dec;5(6):520-30. [2]. Haghighitalab A, et al. Enhancement of cisplatin cytotoxicity in combination with herniarin in vitro. Drug Chem Toxicol. 2014 Apr;37(2):156-62. Chemical & Physical Properties Density 1.2±0.1 g/cm3 Boiling Point 335.3±37.0 °C at 760 mmHg Melting Point 117-121 °C(lit.) Molecular Formula C10H8O3 Molecular Weight 176.169 Flash Point 138.6±21.1 °C Exact Mass 176.047348 PSA 39.44000 LogP 1.78 Vapour Pressure 0.0±0.7 mmHg at 25°C Index of Refraction 1.572 InChIKey LIIALPBMIOVAHH-UHFFFAOYSA-N SMILES COc1ccc2ccc(=O)oc2c1 Water Solubility MISCIBLE |
| Use of | Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect. Properties Articles25 Name herniarin Synonym More Synonyms 7-Methoxycoumarin Biological Activity Description Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect. Related Catalog Signaling Pathways >> Others >> Others Natural Products >> Phenylpropanoids Research Areas >> Cancer References [2]. Haghighitalab A, et al. Enhancement of cisplatin cytotoxicity in combination with herniarin in vitro. Drug Chem Toxicol. 2014 Apr;37(2):156-62. Chemical & Physical Properties Molecular Formula C10H8O3 Exact Mass 176.047348 PSA 39.44000 Index of Refraction 1.572 InChIKey LIIALPBMIOVAHH-UHFFFAOYSA-N Water Solubility MISCIBLE |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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