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531-59-9

531-59-9 structure
531-59-9 structure
  • Name: 7-Methoxycoumarin
  • Chemical Name: herniarin
  • CAS Number: 531-59-9
  • Molecular Formula: C10H8O3
  • Molecular Weight: 176.169
  • Catalog: Biochemical Plant extracts
  • Create Date: 2018-04-24 08:00:00
  • Modify Date: 2024-01-02 15:59:49
  • Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect.
Name herniarin
Synonyms Coumarin, 7-methoxy-
Herniarin
7-Methoxycoumarin
Coumarin, 7-methoxy- (8CI)
Methyl umbelliferyl ether
EINECS 208-513-3
7-methoxychromen-2-one
7-Methoxy-2H-chromen-2-one
2H-1-Benzopyran-2-one, 7-methoxy-
Herniarin (6CI)
MFCD00006876
Description Herniarin is a natural coumarin occurs in some flowering plants, with antitumor effect.
Related Catalog
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.
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
Water Solubility MISCIBLE

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3100380
CHEMICAL NAME :
2H-1-Benzopyran-2-one, 7-methoxy-
CAS REGISTRY NUMBER :
531-59-9
BEILSTEIN REFERENCE NO. :
0141728
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H8-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988
Personal Protective Equipment Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
Hazard Codes Xi
Risk Phrases 36/37/38
Safety Phrases S22-S24/25
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS DJ3100380
HS Code 2932209090
HS Code 2932209090
Summary 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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title: CAS No. 531-59-9 | Chemsrc address: https://www.chemsrc.com/en/baike/1194562.html

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