4-hydroxytamoxifen

Suppliers

Names

[ Name ]:
4-hydroxytamoxifen

[Synonym ]:
MFCD00278780
4-hydroxytamoxifen
4-[(1Z)-1-{4-[2-(Dimethylamino)ethoxy]phenyl}-1-phenyl-1-buten-2-yl]phenol
Phenol, 4-[(1Z)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]phenylmethylene]propyl]-
4-{(1Z)-1-[{4-[2-(dimethylamino)ethoxy]phenyl}(phenyl)methylidene]propyl}phenol
4-{(1Z)-1-[{4-[2-(dimethylamino)ethoxy]phenyl}(phenyl)methylene]propyl}phenol
4-hydroxy-tamoxifen

Chemical & Physical Properties

[ Density]:
1.1±0.1 g/cm3

[ Boiling Point ]:
514.4±50.0 °C at 760 mmHg

[ Melting Point ]:
105-107ºC

[ Molecular Formula ]:
C₂₆H₂₉NO₂

[ Molecular Weight ]:
387.514

[ Flash Point ]:
264.9±30.1 °C

[ Exact Mass ]:
387.219818

[ PSA ]:
32.70000

[ LogP ]:
7.34

[ Vapour Pressure ]:
0.0±1.4 mmHg at 25°C

[ Index of Refraction ]:
1.597

[ Storage condition ]:
2-8°C

[ Stability ]:
Stable. Store cool. Incompatible with strong oxidizing agents.

[ Water Solubility ]:
95% ethanol: 20 mg/mL

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: SL1210000

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

CAS REGISTRY NUMBER :: 68047-06-3

LAST UPDATED :: 199801

DATA ITEMS CITED :: 7

MOLECULAR FORMULA :: C26-H29-N-O2

MOLECULAR WEIGHT :: 387.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 50 ug/kg

SEX/DURATION :: female 4 day(s) after conception

TOXIC EFFECTS :: Reproductive - Fertility - pre-implantation mortality (e.g. reduction in number of implants per female; total number of implants per corpora lutea)

TYPE OF TEST :: DNA adduct

MUTATION DATA

TEST SYSTEM :: Rodent - mouse

DOSE/DURATION :: 480 umol/kg/4D (Continuous)

REFERENCE :: CRNGDP Carcinogenesis (London). (Oxford Univ. Press, Pinkhill House, Southfield Road, Eynsham, Oxford OX8 1JJ, UK) V.1- 1980- Volume(issue)/page/year: 15,2087,1994

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H302-H312-H332-H361

[ Precautionary Statements ]:
P280

[ 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

[ Risk Phrases ]:
R20/21/22;R63

[ Safety Phrases ]:
S22-S23-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
SL1210000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

(E)-1-[4-(benzyloxy)phenyl]-1-[4-(2-dimethylaminoethoxy)phenyl]-2-phenylbut-1-ene
Dimethylamine
4,4'-Dihydroxybenzophenone
1-(4-(2-(dimethylamino)ethoxy)phenyl)-2-phenyl-1-(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)butan-1-ol
Phenyl ethyl ketone
(E,Z)-1-[4-(benzyloxy)phenyl]-1-(4-hydroxyphenyl)-2-phenylbut-1-ene
(E)-1-[4-(benzyloxy)phenyl]-1-(4-hydroxyphenyl)-2-phenylbut-1-ene
4-benzyloxy-4'-[(p-perfluorotolyl)oxy]benzophenone

DownStream

Articles

Inhibitory mechanism of FAT4 gene expression in response to actin dynamics during Src-induced carcinogenesis.

PLoS ONE 10(2) , e0118336, (2015)

Oncogenic transformation is characterized by morphological changes resulting from alterations in actin dynamics and adhesive activities. Emerging evidence suggests that the protocadherin FAT4 acts as ...

Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species.

Chem. Res. Toxicol. 23 , 171-83, (2010)

Drug-induced liver injury is one of the main causes of drug attrition. The ability to predict the liver effects of drug candidates from their chemical structures is critical to help guide experimental...

Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

J. Med. Chem. 48 , 5666-74, (2005)

We investigated the influence of induced fit of the androgen receptor binding pocket on free energies of ligand binding. On the basis of a novel alignment procedure using flexible docking, molecular d...