CAS 52806-53-8|2-Hydroxyflutamide

Introduction：Basic information about CAS 52806-53-8|2-Hydroxyflutamide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. 2-Hydroxyflutamide BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Customs
7. Articles34
8. Synonyms

Common Name	2-Hydroxyflutamide
CAS Number	52806-53-8	Molecular Weight	292.211
Density	1.5±0.1 g/cm3	Boiling Point	443.8±45.0 °C at 760 mmHg
Molecular Formula	C₁₁H₁₁F₃N₂O₄	Melting Point	125-130â„ƒ
MSDS	ChineseUSA	Flash Point	222.2±28.7 °C
Symbol	GHS07	Signal Word	Warning

Names

Name	Hydroxy Flutamide
Synonym	More Synonyms

2-Hydroxyflutamide BiologicalActivity

Description	Hydroxyflutamide (HF), an active metabolite of Flutamide, is a potent androgen receptor antagonist (IC50=700 nM). Hydroxyflutamide can be used for the research of prostate cancer[1][2].
Related Catalog	Research Areas >>CancerSignaling Pathways >>Others >>Androgen Receptor
Target	IC50: 700 nM (androgen receptor)[1]
References	[1]. Furr BJ, et, al. Casodex: preclinical studies and controversies. Ann N Y Acad Sci. 1995 Jun 12;761:79-96. [2]. Liu HL, et, al. A Molecular Modeling Study of the Hydroxyflutamide Resistance Mechanism Induced by Androgen Receptor Mutations. Int J Mol Sci. 2017 Aug 23;18(9):1823.

Chemical & Physical Properties

Density	1.5±0.1 g/cm3
Boiling Point	443.8±45.0 °C at 760 mmHg
Melting Point	125-130â„ƒ
Molecular Formula	C₁₁H₁₁F₃N₂O₄
Molecular Weight	292.211
Flash Point	222.2±28.7 °C
Exact Mass	292.067078
PSA	95.15000
LogP	3.16
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.546
InChIKey	YPQLFJODEKMJEF-UHFFFAOYSA-N
SMILES	CC(C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TX1466250

CHEMICAL NAME :: Propanamide, 2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phen yl)-

CAS REGISTRY NUMBER :: 52806-53-8

LAST UPDATED :: 199706

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C11-H11-F3-O2-N4

MOLECULAR WEIGHT :: 288.26

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 60 mg/kg/6D-I

TOXIC EFFECTS :: Endocrine - other changes Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - dehydrogenases

REFERENCE :: JJATDK JAT, Journal of Applied Toxicology. (John Wiley & Sons Ltd., Baffins Lane, Chichester, W. Sussex PO19 1UD, UK) V.1- 1981- Volume(issue)/page/year: 1,297,1981 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 6 gm/kg

SEX/DURATION :: female 11-15 day(s) after conception

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - other effects on male

REFERENCE :: CJPPA3 Canadian Journal of Physiology and Pharmacology. (National Research Council of Canada, Publication Sales and Distribution, Ottawa ON K1A OR6, Canada) V.42- 1964- Volume(issue)/page/year: 73,1582,1995

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 2400 mg/kg

SEX/DURATION :: female 15-20 day(s) after conception

TOXIC EFFECTS :: Reproductive - Paternal Effects - testes, epididymis, sperm duct Reproductive - Paternal Effects - prostate, seminal vesicle, Cowper's gland, accessory glands Reproductive - Paternal Effects - other effects on male

REFERENCE :: CJPPA3 Canadian Journal of Physiology and Pharmacology. (National Research Council of Canada, Publication Sales and Distribution, Ottawa ON K1A OR6, Canada) V.42- 1964- Volume(issue)/page/year: 73,1582,1995

Safety Information

Symbol	GHS07
Signal Word	Warning
Hazard Statements	H315-H319-H335
Precautionary Statements	P261-P305 + P351 + P338
Hazard Codes	Xi
RIDADR	NONH for all modes of transport
RTECS	TX1466250
HS Code	2924299090

Customs

HS Code	2924299090
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Articles34

Metabolism of UV-filter benzophenone-3 by rat and human liver microsomes and its effect on endocrine-disrupting activity.

Toxicol. Appl. Pharmacol. 282(2) , 119-28, (2015)

Benzophenone-3 (2-hydroxy-4-methoxybenzophenone; BP-3) is widely used as sunscreen for protection of human skin and hair from damage by ultraviolet (UV) radiation. In this study, we examined the metab...

GATA3 in the urinary bladder: suppression of neoplastic transformation and down-regulation by androgens.

Am. J. Cancer Res. 4(5) , 461-73, (2014)

Recent evidence suggests the involvement of sex hormone receptors in bladder cancer initiation, while precise functions of androgens and estrogens in the carcinogenesis step remain poorly understood. ...

TRPM8 channel as a novel molecular target in androgen-regulated prostate cancer cells.

Oncotarget 6 , 17221-36, (2015)

The cold and menthol receptor TRPM8 is highly expressed in prostate and prostate cancer (PC). Recently, we identified that TRPM8 is as an ionotropic testosterone receptor. The TRPM8 mRNA is expressed ...

Synonyms

2-hydroxy Flutamide

2-Hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide

Propanamide, 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-

2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide

Hydroxyflutamide

2-Hydroxy-flutamide

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