CAS 82413-20-5|Droloxifene

Introduction：Basic information about CAS 82413-20-5|Droloxifene, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Droloxifene BiologicalActivity
3. Chemical & Physical Properties
4. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
5. Safety Information
6. Synonyms

Common Name	Droloxifene
CAS Number	82413-20-5	Molecular Weight	579.63700
Density	1.092 g/cm3	Boiling Point	526.6ºC at 760 mmHg
Molecular Formula	C₂₆H₂₉NO₂	Melting Point	127-129ºC
MSDS	/	Flash Point	/

Names

Name	3-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
Synonym	More Synonyms

Droloxifene BiologicalActivity

Description	Droloxifene, a Tamoxifen derivative, is an orally active and selective estrogen receptor modulator. Droloxifene shows antiestrogenic and anti-implantation effects. Droloxifene induces p53 expression and apoptosis in MCF-7 cells. Droloxifene prevents bone loss in ovariectomized rats [1][2][3].
Related Catalog	Signaling Pathways >>Others >>Estrogen Receptor/ERRResearch Areas >>Cancer
In Vitro	Droloxifene (10 nM; 16-18 hours) induces apoptosis in MCF-7 cells[1]. Cell Viability Assay[2] Cell Line: MCF-7 cells Concentration: 10 nM Incubation Time: 16-18 hours Result: Induced cells apoptosis
In Vivo	Droloxifene (5-20 mg/kg; p.o.; daily for 4 weeks) increases BMD of DFM at 10mg/kg, and completely prevents the decrease of BMC and BMD of DFM induced by ovariectomized (OVX) at 20 mg/kg/day[3]. Animal Model: 5-month-old sham-operate rats[3] Dosage: 5, 10, 20 mg/kg Administration: Oral; daily for 4 weeks Result: BMD of DFM increased significantly at 10mg/kg; completely prevented the decrease of BMC and BMD of DFM induced by OVX at 20 mg/kg/day.
References	[1]. Herrington DM, et al. Cardiovascular effects of droloxifene, a new selective estrogen receptor modulator, in healthypostmenopausal women. Arterioscler Thromb Vasc Biol. 2000 Jun;20(6):1606-12. [2]. Grasser WA, et al. Common mechanism for the estrogen agonist and antagonist activities of droloxifene. J Cell Biochem. 1997 May;65(2):159-71. [3]. Ke HZ, et al. Droloxifene, a new estrogen antagonist/agonist, prevents bone loss in ovariectomized rats. ndocrinology. 1995 Jun;136(6):2435-41. [4]. Huang Y, et al. Anti-implantation effect of droloxifene in rats and its relationship with anti-estrogenic activity. Acta Pharmacol Sin. 2005 Oct;26(10):1243-7.

Chemical & Physical Properties

Density	1.092 g/cm3
Boiling Point	526.6ºC at 760 mmHg
Melting Point	127-129ºC
Molecular Formula	C₂₆H₂₉NO₂
Molecular Weight	579.63700
Exact Mass	579.24700
PSA	164.83000
LogP	4.45320
Index of Refraction	1.596
InChIKey	ZQZFYGIXNQKOAV-OCEACIFDSA-N
SMILES	CCC(=C(c1ccc(OCCN(C)C)cc1)c1cccc(O)c1)c1ccccc1
Storage condition	Amber Vial, -20°C Freezer

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL1209900

CHEMICAL NAME :: Phenol, 3-(1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-b utenyl)-, (E)-

CAS REGISTRY NUMBER :: 82413-20-5

LAST UPDATED :: 199704

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C26-H29-N-O2

MOLECULAR WEIGHT :: 387.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >4500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >2250 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >3 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1500 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,186,1984 *** REVIEWS *** IARC Cancer Review:Human Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,241,1996 IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,241,1996 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 66,241,1996

Safety Information

Hazard Codes	Xi

Synonyms

(E)-1-(4'-(2-dimethylaminoethoxy)phenyl)-1-(3-hydroxyphenyl)-2-phenylbut-1-ene

Droloxifenum [Latin]

Droloxifene

K 060

K 060E

MFCD00468089

FK-435

E-1-[4'-(2-dimethylaminoethoxy)-phenyl]-1-(3'-hydroxyphenyl)-2-phenyl-1-butene

E-Droloxifene

Droloxifeno [Spanish]

3-Hydroxytamoxifen

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