ChemicalBook CAS DataBase List 531-44-2

531-44-2

Name	scopolin
CAS	531-44-2
Molecular Formula	C16H18O9
MDL Number	MFCD02259444
Molecular Weight	354.309
MOL File	531-44-2.mol

Chemical Properties

Melting point	217℃
Boiling point	650.2±55.0 °C(Predicted)
density	1.552
storage temp.	2-8°C
solubility	Soluble in DMSO
form	powder
pka	12.71±0.70(Predicted)
color	White
InChI	InChI=1/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/s3
InChIKey	SGTCGCCQZOUMJJ-ONCUFOQVNA-N
SMILES	O([C@H]1[C@@H]([C@@H](O)[C@H](O)[C@@H](CO)O1)O)C1C=C2OC(=O)C=CC2=CC=1OC \|&1:1,2,3,5,7,r\|

Hazard Information

Chemical Properties

It is soluble in organic solvents such as methanol, ethanol, and DMSO, and is derived from the bark of Lycium bark, Thunbergia dichotoma, the root of Hyoscyamus scoparia, Lycium barbarum, and mulberry.

Uses

Scopoletin 7-O-glucoside is a derivative of Scopoletin (S200500), a common constituent found in a variety of plants that has potential to regulate hyperthyroidism in rats. Scopoletin 7-O-glucoside is a compound that is obtained from the methanolic extract of the fresh underground parts of the flower Scopolia japonica.

Definition

ChEBI: A member of the class of coumarins that is scopoletin attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.

in vivo

Scopolin (0.02% (w/w) in HFD diet, 8 weeks) decreases the body weight gain, and alleviates hepatic steatosis in HFD-fed mice^[2].
Scopolin (2 μmol, icv) increases the extracellular acetylcholine concentration in rat brain to about 300% compared to basal release^[3].
Scopolin (50, 100 mg/kg, i.p.) inhibits adjuvant-induced arthritis by inhibiting inflammation and angiogenesis in rats^[4].

Animal Model:	HFD-fed C57BL/6?N mice^[2]
Dosage:	0.02% (w/w) in HFD diet (equivalent to 20?mg/kg body weight)
Administration:	Supplemented in diet, 8 weeks
Result:	Reversed the HFD-induced hepatic TG, cholesterol, and fatty acid accumulation by 35%, 49%, and 35%, respectively. Reversed the HFD-induced decrease in plasma adiponectin levels by 76%, and reduced the increased plasma MCP-1, TNFα, and IL-6 levels. Restored HFD-induced downregulation of SIRT1 activity.

Animal Model:	Adjuvant-induced arthritis (AIA) rats^[4]
Dosage:	50, 100 mg/kg
Administration:	i.p.
Result:	Inhibited inoculated and non-inoculated paw swelling and articular index scores. Reduced new blood vessels, and reduced IL-6, VEGF and FGF-2 expressions in rat synovial tissues.

target

VEGFR | IL Receptor | AChR | Antifection

IC 50

SIRT1

storage

Store at -20°C

Spectrum Detail

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