Equilin

Names

[ CAS No. ]:
474-86-2

[ Name ]:
Equilin

[Synonym ]:
Equilin
Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one (9CI)
Dihydroequilenin
(9S,13S,14S)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
3-Hydroxyestra-1,3,5(10),7-tetraen-17-one
1,3,5(10),7-Estratetraen-3-ol-17-one (3-Hydroxy-1,3,5(10),7-estratetraen-17-one
1,3,5,7-Estratetraen-3-ol-17-one
7-Dehydroestrone

Biological Activity

[Description]:

Equilin is one of the estrogens present in the mixture of estrogens isolated from horse urine.

[Related Catalog]:

Signaling Pathways >> Others >> Estrogen Receptor/ERR

Research Areas >> Endocrinology

[Related Small Molecules]

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
459.1±45.0 °C at 760 mmHg

[ Melting Point ]:
238-240ºC(lit.)

[ Molecular Formula ]:
C₁₈H₂₀O₂

[ Molecular Weight ]:
268.350

[ Flash Point ]:
195.4±21.3 °C

[ Exact Mass ]:
268.146332

[ PSA ]:
37.30000

[ LogP ]:
3.53

[ Vapour Pressure ]:
0.0±1.2 mmHg at 25°C

[ Index of Refraction ]:
1.626

[ Storage condition ]:
-20°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: KG6650000

CHEMICAL NAME :: Estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-

CAS REGISTRY NUMBER :: 474-86-2

BEILSTEIN REFERENCE NO. :: 2624302

LAST UPDATED :: 199709

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C18-H20-O2

MOLECULAR WEIGHT :: 268.38

WISWESSER LINE NOTATION :: L E5 B666 FV JUTTT&J E1 OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 112 mg/kg/56W-I

TOXIC EFFECTS :: Tumorigenic - neoplastic by RTECS criteria Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Implant

SPECIES OBSERVED :: Rodent - hamster

DOSE/DURATION :: 640 mg/kg/38W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Kidney, Ureter, Bladder - Kidney tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 168 mg/kg/42W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Tumorigenic - tumors at site of application

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 400 mg/kg

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 48,14,1988

Safety Information

[ Symbol ]:

GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H351-H360-H362

[ Precautionary Statements ]:
P201-P260-P263-P280-P308 + P313

[ Personal Protective Equipment ]:
Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
Xn: Harmful;

[ Risk Phrases ]:
R40

[ Safety Phrases ]:
36/37-45-16-7

[ RIDADR ]:
UN1230 - class 3 - PG 2 - Methanol, solution

[ WGK Germany ]:
3

[ RTECS ]:
KG6650000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Articles

An updated steroid benchmark set and its application in the discovery of novel nanomolar ligands of sex hormone-binding globulin.

J. Med. Chem. 51 , 2047-56, (2008)

A benchmark data set of steroids with known affinity for sex hormone-binding globulin (SHBG) has been widely used to validate popular molecular field-based QSAR techniques. We have expanded the data s...

Potent and selective steroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 7, an enzyme that catalyzes the reduction of the key hormones estrone and dihydrotestosterone.

J. Med. Chem. 52 , 7488-502, (2009)

17beta-Hydroxysteroid dehydrogenase type 7 (17beta-HSD7) catalyzes the reduction of estrone (E(1)) into estradiol (E(2)) and of dihydrotestosterone (DHT) into 5alpha-androstane-3beta,17beta-diol (3bet...

Comparison of the proliferative effects of estradiol and conjugated equine estrogens on human breast cancer cells and impact of continuous combined progestogen addition.

Climacteric 6(3) , 221-7, (2003)

So far, most epidemiological studies investigating breast cancer risk and hormone replacement therapy have been conducted with conjugated equine estrogens (CEE). Recent trials indicate that the additi...