CAS 6151-25-3|Quercetin dihydrate

Introduction：Basic information about CAS 6151-25-3|Quercetin dihydrate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Quercetin dihydrate BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
MUTATION DATA
5. Safety Information
6. Customs
7. Articles200
8. Synonyms

Common Name	Quercetin dihydrate
CAS Number	6151-25-3	Molecular Weight	338.266
Density	/	Boiling Point	642.4ºC at 760 mmHg
Molecular Formula	C₁₅H₁₄O₉	Melting Point	>300 °C(lit.)
MSDS	ChineseUSA	Flash Point	/
Symbol	GHS06	Signal Word	Danger

Names

Name	Quercetin dihydrate
Synonym	More Synonyms

Quercetin dihydrate BiologicalActivity

Description	Quercetin (dihydrate), a natural flavonoid, is a stimulator of recombinant SIRT1 and a PI3K inhibitor with IC50s of 2.4 μM, 3.0 μM and 5.4 μM for PI3K γ, PI3K δ and PI3K β, respectively[1].
Related Catalog	Signaling Pathways >>PI3K/Akt/mTOR >>PI3K
Target	PI3Kγ:2.4 μM (IC50) PI3Kβ:5.4 μM (IC50) PI3Kδ:3.0 μM (IC50)
In Vitro	Quercetin (dihydrate) is a type of plant-based chemical, or phytochemical, used as an ingredient in supplements, beverages or foods. In several studies, it may have anti-inflammatory and antioxidant properties, and it is being investigated for a wide range of potential health benefits[1]. Quercetin (dihydrate) is a PI3K inhibitor with IC50s of 2.4-5.4 μM. Quercetin dihydrate (Sophoretin dihydrate) strongly abrogates PI3K and Src kinases, mildly inhibits Akt1/2, and slightly affected PKC, p38 and ERK1/2[1]. Quercetin (dihydrate) inhibits TNF-induced LDH% release, EC-dependent neutrophils adhesion to bovine pulmonary artery endothelial cells (BPAEC), and BPAEC DNA synthesis and proliferation[2].
References	[1]. Navarro-Núñez L, et al. Effect of quercetin on platelet spreading on collagen and fibrinogen and on multiple platelet kinases. Fitoterapia. 2010 Mar;81(2):75-80. [2]. Yu XB, et al. Inhibitory effects of protein kinase C inhibitors on tumor necrosis factor induced bovine pulmonary artery endothelial cell injuries. Yao Xue Xue Bao. 1996;31(3):176-81. [3]. Yang F, et al. Combination of Quercetin and 2-Methoxyestradiol Enhances Inhibition of Human Prostate Cancer LNCaP and PC-3 Cells Xenograft Tumor Growth. PLoS One. 2015 May 26;10(5):e0128277.

Chemical & Physical Properties

Boiling Point	642.4ºC at 760 mmHg
Melting Point	>300 °C(lit.)
Molecular Formula	C₁₅H₁₄O₉
Molecular Weight	338.266
Exact Mass	338.063782
PSA	149.82000
LogP	1.85940
InChIKey	GMGIWEZSKCNYSW-UHFFFAOYSA-N
SMILES	O.O.O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
Water Solubility	practically insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: LK8950000

CHEMICAL NAME :: Flavone, 3,3',4',5,7-pentahydroxy-, dihydrate

CAS REGISTRY NUMBER :: 6151-25-3

LAST UPDATED :: 199506

DATA ITEMS CITED :: 8

MOLECULAR FORMULA :: C15-H10-O7.2H2-O

MOLECULAR WEIGHT :: 338.29

WISWESSER LINE NOTATION :: T66 BO EVJ CR CQ DQ& DQ GQ IQ &QH 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 159 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - muscle weakness Lungs, Thorax, or Respiration - respiratory depression

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1350 gm/kg/77W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - testicular tumors Endocrine - adrenal cortex tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 4250 gm/kg/121W-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Reproductive - Tumorigenic effects - testicular tumors Endocrine - adrenal cortex tumors

TYPE OF TEST :: Specific locus test

MUTATION DATA

TYPE OF TEST :: Sex chromosome loss and nondisjunction

TEST SYSTEM :: Human Lymphocyte

DOSE/DURATION :: 20 mg/L

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 246,205,1991

Safety Information

Symbol	GHS06
Signal Word	Danger
Hazard Statements	H301
Precautionary Statements	Missing Phrase - N15.00950417
Hazard Codes	T:Toxic
Risk Phrases	R25
Safety Phrases	S45
RIDADR	UN 2811 6.1/PG 3
WGK Germany	3
RTECS	LK8950000
Packaging Group	III
Hazard Class	6.1
HS Code	2918290000

Customs

HS Code	2918290000
Summary	HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0%

Articles200

Hesperetin inhibit adipocyte differentiation and enhance Bax- and p21-mediated adipolysis in human mesenchymal stem cell adipogenesis.

J. Biochem. Mol. Toxicol. 29(3) , 99-108, (2015)

We aimed to explore the antiadipogenic and adipolysis effect of hesperetin in human mesenchymal stem cells (hMSCs)-induced adipogenesis. IC50 value of hesperetin was higher for hMSCs such as 149.2 ± 1...

Quercetin promotes cell apoptosis and inhibits the expression of MMP-9 and fibronectin via the AKT and ERK signalling pathways in human glioma cells.

Neurochem. Int. 80 , 60-71, (2015)

Gliomas are the most common and malignant primary brain tumours and are associated with a poor prognosis despite the availability of multiple therapeutic options. Quercetin, a traditional Chinese medi...

The identification of a novel SIRT6 modulator from Trigonella foenum-graecum using ligand fishing with protein coated magnetic beads.

J. Chromatogr. B. Analyt. Technol. Biomed. Life Sci. 968 , 105-11, (2014)

SIRT6 is a histone deacetylase that has been proposed as a potential therapeutic target for metabolic disorders and the prevention of age-associated diseases. Thus the identification of compounds that...

Synonyms

4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-, hydrate (1:2)

EINECS 204-187-1

MFCD00149487

2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one dihydrate

3,3',4',5,7-Pentahydroxyflavone dihydrate

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