CAS 19879-30-2|Bavachinin

Introduction:Basic information about CAS 19879-30-2|Bavachinin, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common NameBavachinin
CAS Number19879-30-2Molecular Weight338.397
Density1.2±0.1 g/cm3Boiling Point537.1±50.0 °C at 760 mmHg
Molecular FormulaC21H22O4Melting Point139-145ºC
MSDSChineseUSAFlash Point190.3±23.6 °C
Symbol
GHS09
Signal WordWarning

Names

Name2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
SynonymMore Synonyms

Bavachinin BiologicalActivity

DescriptionBavachinin(7-O-Methylbavachin) is a natural compound isolated from the Chinese herb Fructus Psoraleae;has potent anti-angiogenic activity.IC50 value:Target:in vitro: Isobavachalcone significantly inhibits both oligomerization and fibrillization of Aβ42, whereas bavachinin inhibits fibrillization and leads to off-pathway aggregation. Both of the compounds attenuated Aβ42-induced toxicity in a SH-SY5Y cell model [1]. Bavachinin, has potent anti-angiogenic activity in vitro and in vivo. Bavachinin inhibited increases in HIF-1α activity in human KB carcinoma (HeLa cell derivative) and human HOS osteosarcoma cells under hypoxia in a concentration-dependent manner, probably by enhancing the interaction between von Hippel-Lindau (VHL) and HIF-1α [2].in vivo: significantly inhibited Th2 cytokine production, including IL-4, IL-5 and IL-13. Notably, this compound almost completely blocked inflammation in the ovalbumin (OVA)-sensitized animal asthma model [3].
Related CatalogSignaling Pathways >>Others >>OthersNatural Products >>FlavonoidsResearch Areas >>Inflammation/Immunology
References

[1]. Chen X, et al. Isobavachalcone and bavachinin from Psoraleae Fructus modulate Aβ42 aggregation process through different mechanisms in vitro. FEBS Lett. 2013 Sep 17;587(18):2930-5.

[2]. Nepal M, et al. Anti-angiogenic and anti-tumor activity of Bavachinin by targeting hypoxia-inducible factor-1α. Eur J Pharmacol. 2012 Sep 15;691(1-3):28-37.

[3]. Chen X, et al. Treatment of allergic inflammation and hyperresponsiveness by a simple compound, Bavachinin, isolated from Chinese herbs. Cell Mol Immunol. 2013 Nov;10(6):497-505.

Chemical & Physical Properties

Density1.2±0.1 g/cm3
Boiling Point537.1±50.0 °C at 760 mmHg
Melting Point139-145ºC
Molecular FormulaC21H22O4
Molecular Weight338.397
Flash Point190.3±23.6 °C
Exact Mass338.151794
PSA55.76000
LogP4.93
Vapour Pressure0.0±1.5 mmHg at 25°C
Index of Refraction1.590
InChIKeyVOCGSQHKPZSIKB-FQEVSTJZSA-N
SMILESCOc1cc2c(cc1CC=C(C)C)C(=O)CC(c1ccc(O)cc1)O2
Storage condition?20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ2981791
CHEMICAL NAME :
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl -2-butenyl)-, (S)-
CAS REGISTRY NUMBER :
19879-30-2
BEILSTEIN REFERENCE NO. :
3629340
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H22-O4
MOLECULAR WEIGHT :
338.43

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
INDRBA Indian Drugs. (Indian Drugs Manufacturers' Assoc., 102B, Poonam Chambers, Dr. A. B. Rd., Worli, Bombay 400 018, India) V.1- 1963- Volume(issue)/page/year: 29,662,1992

Safety Information

Symbol
GHS09
Signal WordWarning
Hazard StatementsH410
Precautionary StatementsP273-P501
Hazard CodesN
Risk Phrases50
Safety Phrases61
RIDADRUN 3077 9 / PGIII

Articles7

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Phenolic compounds isolated from Psoralea corylifolia inhibit IL-6-induced STAT3 activation.

Planta Med. 78(9) , 903-6, (2012)

Inhibiting interleukin-6 (IL-6) has been postulated as an effective therapy in the pathogenesis of several inflammatory diseases. In this study, seven flavonoids were isolated from the methanol extrac...

Antioxidative components of Psoralea corylifolia (Leguminosae).

Phytother Res. 16(6) , 539-44, (2002)

A meroterpene and four flavonoids were isolated from the seeds of Psoralea corylifolia as antioxidative components. Their structures were elucidated by spectral data and identified as bakuchiol (1), b...

Development of a fully automated on-line solid phase extraction and high-performance liquid chromatography with diode array detection method for the pharmacokinetic evaluation of bavachinin: a study on absolute bioavailability and dose proportionality.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 893-894 , 21-8, (2012)

A fully automated on-line solid-phase extraction (SPE) and high-performance liquid chromatography (HPLC) with diode array detection (DAD) method was developed for determination of bavachinin in mouse ...

Synonyms

2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-one
2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-2,3-dihydro-4H-chromen-4-on
2-(4-Hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-en-1-yl)-2,3-dihydro-4H-chromen-4-one
2-(4-hydroxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)-2,3-dihydro-4H-chromen-4-one
Bavachinin
4H-1-Benzopyran-4-one, 2,3-dihydro-2-(4-hydroxyphenyl)-7-methoxy-6-(3-methyl-2-buten-1-yl)-
2-(4-Hydroxyphényl)-7-méthoxy-6-(3-méthyl-2-butèn-1-yl)-2,3-dihydro-4H-chromén-4-one
7-O-Methylbavachin
4'-Hydroxy-7-methoxy-6-(3-methyl-2-butenyl)flavanone
Bavachinin A
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