Name | 4-hydroxytamoxifen |
Synonyms | 4-hydroxytamoxifen cis-4-Hydroxytamoxifen trans-4-Hydroxytamoxifen (Z)-3,4-Diphenyl-4-[4-[2-(dimethylamino)ethoxy]phenyl]-3-buten-1-ol 4-(1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl)phenol 4-[(E)-1-[4-[2-(Dimethylamino)ethoxy]phenyl]-2-phenyl-1-butenyl]phenol 4-{(1Z)-1-[{4-[2-(dimethylamino)ethoxy]phenyl}(phenyl)methylidene]propyl}phenol 2-[4-[(E)-1-(4-Hydroxyphenyl)-2-phenyl-1-butenyl]phenoxy]-N,N-dimethylethanamine N,N-Dimethyl-2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-1-butenyl]phenoxy]ethanamine trans-4-Hydroxytamoxifen, (Z)-4-(1-[4-(Dimethylaminoethoxy)phenyl]-2-phenyl-1-butenyl)phenol |
CAS | 68047-06-3 |
InChI | InChI=1/C26H29NO2/c1-4-25(20-10-14-23(28)15-11-20)26(21-8-6-5-7-9-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25- |
InChIKey | TXUZVZSFRXZGTL-OCEACIFDSA-N |
Molecular Formula | C26H29NO2 |
Molar Mass | 387.51 |
Density | 1.1005 (rough estimate) |
Melting Point | 105-107°C |
Boling Point | 513.45°C (rough estimate) |
Flash Point | 264.9°C |
Solubility | 95% ethanol: 20mg/mL |
Vapor Presure | 3.35E-11mmHg at 25°C |
Appearance | powder |
Color | white |
pKa | 10.35±0.15(Predicted) |
Storage Condition | 2-8°C |
Stability | Stable. Store cool. Incompatible with strong oxidizing agents. |
Refractive Index | 1.6000 (estimate) |
MDL | MFCD00278780 |
In vitro study | 4-Hydroxytamoxifen (Monohydroxytamoxifen) is a selective oestrogen receptor antagonist, with an IC 50 of 3.3 nM for the [ 3 H]oestradiol binding to oestrogen receptor. 4-Hydroxytamoxifen (10, 100 nM) enables to inhibit the binding of [ 3 H]oestradiol to the human 8 S oestrogen receptor. 4-Hydroxytamoxifen activates intein-linked inactive Cas9, reduces off-target CRISPR-mediated gene editing. In human cells, conditionally active Cas9s modify target genomic sites with up to 25-fold higher specificity than wild-type Cas9. |
In vivo study | 4-Hydroxytamoxifen (0.2, 1 and 5 μg/day, p.o.) causes a dose-related decrease in uterine wet weight of immature rats. 4-Hydroxytamoxifen (6 μg/0.1 mL sesame oil/day, s.c.) effectively attenuates methamphetamine-induced nigrostriatal dopamine depletions in bothsexes of intact and gonadectomized C57BL/6 J mice. 4-Hydroxytamoxifen does not alter the dopamine content levels in the striatum. |
Hazard Symbols | Xn - Harmful |
Risk Codes | R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R63 - Possible risk of harm to the unborn child |
Safety Description | S22 - Do not breathe dust. S23 - Do not breathe vapour. S36 - Wear suitable protective clothing. |
WGK Germany | 3 |
RTECS | SL1210000 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 2.581 ml | 12.903 ml | 25.806 ml |
5 mM | 0.516 ml | 2.581 ml | 5.161 ml |
10 mM | 0.258 ml | 1.29 ml | 2.581 ml |
5 mM | 0.052 ml | 0.258 ml | 0.516 ml |