| Identification | Back Directory | [Name]
(5r,11r)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol | [CAS]
221368-54-3 | [Synonyms]
| [Molecular Formula]
C22H24O2 | [MDL Number]
MFCD04039999 | [MOL File]
221368-54-3.mol | [Molecular Weight]
320.42 |
| Chemical Properties | Back Directory | [Melting point ]
241-243 °C | [Boiling point ]
519.0±50.0 °C(Predicted) | [density ]
1.21±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [form ]
Solid | [pka]
10.27±0.60(Predicted) | [color ]
Light yellow to brown |
| Hazard Information | Back Directory | [Uses]
(R,R)-THC is an ERα agonist and an ERβ antagonist, with Kis of 9.0 nM and 3.6 nM for ERα and ERβ, respectively. (R,R)-THC has higher relative binding affinity for ERβ than ERα with the values of 25 and 3.6[1]. | [Definition]
ChEBI:(R,R)-5,11-diethyl-5,6,11,12-tetrahydro-2,8-chrysenediol is a carbotetracyclic compound that is 5,6,11,12-tetrahydrochrysene substituted by hydroxy groups at positions 2 and 8 and by ethyl groups at positions 5 and 11 (the 5R,11R-stereoisomer). It is an agonist of ER-alpha and antagonist of ER-beta receptors. It has a role as an estrogen receptor antagonist, an estrogen receptor agonist, a geroprotector and a neuroprotective agent. It is a carbotetracyclic compound and a polyphenol. | [IC 50]
ERα: 9.0 nM (Ki); ERβ: 3.6 nM (Ki) | [References]
[1] Sun J, et al. Novel ligands that function as selective estrogens or antiestrogens for estrogen receptor-alpha or estrogen receptor-beta. Endocrinology. 1999;140(2):800-804. DOI:10.1210/endo.140.2.6480 |
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