Sample from the TerraTox™: Steroids-RBA database.
| Compound | 17beta-estradiol, 17alpha-(2-iodovinyl-(E)) |
| Structure |
|
| CAS | 91085-44-8 |
| SMILES | c1c(O)ccc2[C@@]3([H])CC[C@]4(C)[C@](O)(C([H])=C(I)[H])CC[C@@]4([H])[C@]3([H])CCc12 |
| Formula | C20H25IO2 |
| MW | 424.32 |
| MP | 113 C |
| Estrogen receptor binding, rat, 0-4 C | log RBA = 1.60 (relative to estradiol = 2.00) |
| Estrogen receptor binding, lamb, 20-25 C | log RBA = 1.79 (relative to estradiol = 2.00) |
| Sources | Napolitano, E.; Fiaschi, R.; Herman, L.W.; Hanson, R.N., 1996. Synthesis and estrogen receptor binding of (17alpha,20E)- and (17alpha,20Z)-21-phenylthio- and 21-phenylseleno-19-norpregna-1,3,5(10),20-tetraene-3,17beta-diols. Steroids 61:384-389 |
| Ali, H.; Rousseau, J.; van Lier, J.E., 1996. Synthesis of A-ring fluorinated derivatives of (17alpha,20E/Z)-[125-I]iodovinylestradiols: effect on receptor binding and receptor-mediated target tissue uptake. Journal of Medicinal Chemistry 36:3061-3072 |