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Product Name: Chlorotrianisene
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Product Name: Benzene,1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-
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569-57-3

569-57-3 structure

Name: Chlorotrianisene
Chemical Name: chlorotrianisene
CAS Number: 569-57-3
Molecular Formula: C₂₃H₂₁ClO₃
Molecular Weight: 380.86400
Catalog: API Hormone and endocrine-regulating drugs Estrogen and progestogen drugs
Create Date: 2018-05-17 08:00:00
Modify Date: 2024-01-08 02:09:53
Chlorotrianisene is a long-acting non-steroidal estrogen and an orally active estrogen receptor modulator. Chlorotrianisene exhibits antiestrogenic activity. Chlorotrianisene potently inhibits the enzyme COX-1 and inhibits platelet aggregation in whole blood[1][2][3].

Name	chlorotrianisene
Synonyms	1-chloro-1,2,2-tris(p-methoxyphenyl)ethene TACE 1,1',1''-(1-chloro-1-ethenyl-2-ylidene)tris[4-methoxy-benzene] Chlortrianisestrol Merbentul Chlorestrolo Chlorotrianisene Tris-(4-methoxy-phenyl)-vinylchlorid chloro-tris-(4-methoxy-phenyl)-ethene Chlorotrianizen Chlor-tris-(4-methoxy-phenyl)-aethen Chlortrianisen Chloortrianisestrol 1-[1-chloro-2,2-bis(4-methoxyphenyl)ethenyl]-4-methoxybenzene Chlorotrianisine Chlortrianizen 2-Chlor-1,1,2-tris-(4-methoxy-phenyl)-aethylen

Description	Chlorotrianisene is a long-acting non-steroidal estrogen and an orally active estrogen receptor modulator. Chlorotrianisene exhibits antiestrogenic activity. Chlorotrianisene potently inhibits the enzyme COX-1 and inhibits platelet aggregation in whole blood[1][2][3].
Related Catalog	Signaling Pathways >> Others >> Estrogen Receptor/ERR Research Areas >> Cardiovascular Disease Research Areas >> Endocrinology Signaling Pathways >> Immunology/Inflammation >> COX
Target	Estrogen receptor[1] COX-1[2]
In Vitro	Comparison of intracellular estrogen receptor (ER) affinities of Chlorotrianisene with respective rat uterine cytosolic ER affinities has initially suggested the potential for activation of ER as a mechanism of growth stimulation. Chlorotrianisene exhibits concentration dependent cell growth stimulation with an EC50 of 28 nM and a Ki of 500 nM in MCF-7 cells[1].
In Vivo	The incubation of Chlorotrianisene with rat liver microsomes and NADPH generates a reactive intermediate which binds covalently to proteins. Intermediate may inactivate the uterine estrogen receptors (ER). The incubation of Chlorotrianisene with rat liver microsomes and NADPH in the presence of rat uteri, under conditions which generate intermediate, markedly decreased the binding capacity of the ER for [3H]estradiol (E2)[3].
References	[1]. Ruenitz PC, et al. Estrogenic tamoxifen derivatives: categorization of intrinsic estrogenicity in MCF-7 cells. J Steroid Biochem Mol Biol. 1997 Nov-Dec;63(4-6):203-9. [2]. Lounkine E, et al. Large-scale prediction and testing of drug activity on side-effect targets. Nature. 2012 Jun 10;486(7403):361-7. [3]. Kupfer D, et al. Inactivation of the uterine estrogen receptor binding of estradiol during P-450 catalyzed metabolism of chlorotrianisene (TACE). Speculation that TACE antiestrogenic activity involves covalent binding to the estrogen receptor. FEBS Lett. 1990 Feb 12;261(1):59-62.

Density	1.168g/cm3
Boiling Point	514.2ºC at 760mmHg
Melting Point	114-116ºC
Molecular Formula	C₂₃H₂₁ClO₃
Molecular Weight	380.86400
Flash Point	164.1ºC
Exact Mass	380.11800
PSA	27.69000
LogP	5.86780
Index of Refraction	1.591
Storage condition	-70°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KV0600000

CHEMICAL NAME :: Ethylene, chlorotris(p-methoxyphenyl)-

CAS REGISTRY NUMBER :: 569-57-3

BEILSTEIN REFERENCE NO. :: 1891845

LAST UPDATED :: 199612

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C23-H21-Cl-O3

MOLECULAR WEIGHT :: 380.89

WISWESSER LINE NOTATION :: 1OR DYGUYR DO1&R DO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 37 mg/kg/2Y-C

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Skin and Appendages - tumors Behavioral - changes in motor activity (specific assay)

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 11,489,1967

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 180 mg/kg/89W-I

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

REFERENCE :: AMPLAO AMA Archives of Pathology. (Chicago, IL) V.50(4)-69, 1950-60. For publisher information, see APLMAS. Volume(issue)/page/year: 50,750,1950 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 48 mg/kg

SEX/DURATION :: female 14 week(s) pre-mating

TOXIC EFFECTS :: Reproductive - Fertility - other measures of fertility

REFERENCE :: OBGNAS Obstetrics and Gynecology. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1953- Volume(issue)/page/year: 8,399,1956 *** REVIEWS *** 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: 21,139,1979 TOXICOLOGY REVIEW ACRSAJ Advances in Cancer Research. (Academic Press, Inc., 465 S. Lincoln Dr., Troy, MO 63379) V.1- 1953- Volume(issue)/page/year: 1,173,1953 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84523 No. of Facilities: 14 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 1134 (estimated) NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - 84523 No. of Facilities: 18 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 229 (estimated) No. of Female Employees: 114 (estimated)

WGK Germany	3
RTECS	KV0600000

Precursor 10
100-66-3 61161-13-5 1076-95-5 25354-46-5
72-43-5 17105-65-6 824-94-2 90-96-0
86457-76-3 14062-18-1
DownStream 3
1040086-21-2 90-96-0 7109-27-5

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