Chemical Property of 16alpha-Hydroxyestrone
Chemical Property:
- Vapor Pressure:1.53E-10mmHg at 25°C
- Melting Point:209-211°C
- Refractive Index:1.611
- Boiling Point:493.2 °C at 760 mmHg
- PKA:10.23±0.60(Predicted)
- Flash Point:266.2 °C
- PSA：57.53000
- Density:1.195g/cm3
- LogP:2.78820
- Storage Temp.:-20°C Freezer
- Solubility.:DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)
- XLogP3:2.6
- Hydrogen Bond Donor Count:2
- Hydrogen Bond Acceptor Count:3
- Rotatable Bond Count:0
- Exact Mass:286.15689456
- Heavy Atom Count:21
- Complexity:448
- Purity/Quality:
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98%Min *data from raw suppliers
16α-HydroxyEstrone *data from reagent suppliers
Safty Information:
- Pictogram(s):
Xn
- Hazard Codes:Xn
- Statements:
40
- Safety Statements:
22-36
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CC12CCC3C(C1CC(C2=O)O)CCC4=C3C=CC(=C4)O
- Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H](C2=O)O)CCC4=C3C=CC(=C4)O
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Description
The naturally-occurring estrogens are estrone (E1, ), estradiol (E2, ), and estriol (E3, ). 16α-hydroxy Estrone (16α-OHE1) is a hydroxylated metabolite of E1 as well as an interconversion product with E2. E1 is 16α-hydroxylated by cytochrome P450 (CYP) isoforms, including CYP1A1, CYP3A5, CYP3A4, and CYP3A7, with CYP3A5 being breast-specific. 16α-OHE1 is sulphatized or glucuronidated before excretion. It is increased in rheumatoid arthritis and decreased by physical activity. Unlike the parent estrogens and other hydroxylated metabolites of E1, 16α-OHE1 binds covalently and persistently activates estrogen receptors. In addition, this metabolite increases cell proliferation and does not suppress TNF-α secretion, whereas other estrogen metabolites are not pro-proliferative and have marked effects on TNF-α secretion. The levels of 16α-OHE1 are increased in some forms of hormone therapy. Because hormone therapy increases breast cancer risk, 16α-OHE1 has been implicated as a risk factor for breast cancer, although supportive data remains elusive.
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Uses
16α-Hydroxy Estrone (Estriol EP Impurity H) is a major metabolite of Estradiol.
