7-{4-[2-(Dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17-diol
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Basic information
- CAS
119286-92-9- Standard SMILES
CN(C)CCOc1ccc([C@@H]2Cc3cc(O)ccc3[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]32)cc1- InChIKey
FBLUWZJAMLYBOQ-JVACCQEYSA-N- Molecular formula
- C28H37NO3
- Average molar mass
- 435.608 g/mol
- Monoisotopic mass
- 435.27734404
Names & identifiers
- Preferred name
- 7-{4-[2-(Dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17-diol
- IUPAC
- (17S)-7alpha-{4-[2-(Dimethylamino)ethoxy]phenyl}estra-1(10),2,4-triene-3,17-diol
- English name
- RU 45144
- Molecular formula
- C28H37NO3
- Molecular weight
- 435.61
Names & synonyms
RU 451447alpha-[4-[2-(dimethylamino)-ethoxy]-phenyl]-estra-1,3,5(10)-trien-3,17beta-diolEstra-1,3,5(10)-triene-3,17-diol, 7-[4-[2-(dimethylamino)ethoxy]phenyl]-, (7α,17β)- (9CI)
Database identifiers
- CAS
119286-92-9- PubChem CID
- 164104
- DTXSID
DTXSID20922917- ChEMBL
CHEMBL1627703- Nikkaji
- J575.299J
Properties
Physicochemical properties
- Boiling point
- 592.4 · 592.4±50.0 °C(Predicted)
- Density
- 1.153 · 1.153±0.06 g/cm3(Predicted)
- pka
- 10.23 · 10.23±0.70(Predicted)
Chemistry & industry
Applications
DescriptionRU 45144 is an antiestrogenic estradiol derivative.
UsesRU 45144 is an anti-estrogen compound that has the activity of antagonizing the binding of estrogen receptors to calmodulin. RU 45144 can inhibit the binding of estrogen receptors to calmodulin, and its effect is similar to that of tamoxifen. Its anti-estrogen effect may be related to specific side chains in the molecular structure, and the steroid skeleton may be involved in its anti-proliferative activity.
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Compound notes
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