Shanghai Nianxing Industrial Co., Ltd
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Product Name: U-0521
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DC Chemicals Limited
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 1-Propanone,1-(3,4-dihydroxyphenyl)-2-methyl-
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5466-89-7

5466-89-7 structure

5466-89-7 structure

Name: U-0521
Chemical Name: 1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one
CAS Number: 5466-89-7
Molecular Formula: C₁₀H₁₂O₃
Molecular Weight: 180.20000
Catalog: Research Areas Neurological Disease
Create Date: 2016-12-15 16:06:24
Modify Date: 2024-02-04 17:37:26
U-0521 is the inhibitor of the catechol-O-methyltransferase (COMT). U-0521 has the potential for the research of Parkinson's disease[1].

Name	1-(3,4-dihydroxyphenyl)-2-methylpropan-1-one
Synonyms	U-0521 3',4'-Dihydroxyisobutyrophenone 3,4-Dihydroxyisobutyrophenon 3,4-Dihydroxyphenyl-isopropylketon 3',4'-Dihydroxy-2-methylpropiophenone

Description	U-0521 is the inhibitor of the catechol-O-methyltransferase (COMT). U-0521 has the potential for the research of Parkinson's disease[1].
Related Catalog	Signaling Pathways >> Others >> Others Research Areas >> Neurological Disease
Target	COMT[1]
In Vitro	U-0521 inhibits RBC COMT activity in a dose-dependent manner with an IC50 of 6 x10-6 M[1].
In Vivo	U-0521 (i.p.; 0-250 mg/kg; 10 min) inhibits COMT activity in a dose-dependent manner. 50% inhibition of enzyme activity is obtained at 90 mg/kg and maximum inhibition of 90% is obtained at 250 mg/kg[1]. Animal Model: Male Sprague-Dawley rats (180-250 g)[1] Dosage: 0-250 mg/kg Administration: i.p.; 10 min Result: Inhibited COMT activity in a dose-dependent manner. 50% inhibition of enzyme activity was obtained at 90mg/kg and maximum inhibition of 90% was obtained at 250 mg/kg.
References	[1]. Reches A, et al. Effect of 3',4'-dihydroxy-2-methyl-propriophenone (U-0521) on catechol-O-methyltransferase activity and on DOPA accumulation in rat red blood cells and corpus striatum. Biochem Pharmacol. 1982;31(21):3415-3418.

Density	1.191g/cm3
Boiling Point	372.2ºC at 760mmHg
Molecular Formula	C₁₀H₁₂O₃
Molecular Weight	180.20000
Flash Point	193.1ºC
Exact Mass	180.07900
PSA	57.53000
LogP	1.93650
Index of Refraction	1.565

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NQ5605000

CHEMICAL NAME :: Isobutyrophenone, 3',4'-dihydroxy-

CAS REGISTRY NUMBER :: 5466-89-7

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H12-O3

MOLECULAR WEIGHT :: 180.22

WISWESSER LINE NOTATION :: QR BQ DVY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 650 mg/kg

TOXIC EFFECTS :: Behavioral - altered sleep time (including change in righting reflex)

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,178,1964

HS Code	2914501900

Precursor 0
DownStream 1
67464-98-6

HS Code	2914501900
Summary	2914501900 other ketone-phenols。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%