RU 25055
Basic information
- CAS
67983-56-6- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cccs3)C[C@@]21C- InChIKey
VXJUEZQVBUJYLC-MLNGRUJYSA-N- Molecular formula
- C24H26O2S
- Average molar mass
- 378.5 g/mol
- Monoisotopic mass
- 378.16535124
Overview
glucocorticoid antagonist; RN given refers to (11beta,17alpha)-isomer
Names & identifiers
- Preferred name
- RU 25055
- IUPAC
- (8S,11S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-11-thiophen-2-yl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
- English name
- RU 25055
- Molecular formula
- C24H26O2S
- Molecular weight
- 378.53
Names & synonyms
67983-56-6RU 25055RU25055RU-25055RefChem:180115(8S,11S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-11-thiophen-2-yl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one11-Thienyl-17-ethynyl-19-norandrosta-4,9-dien-17-ol-3-oneorb1701622DTXSID20987389AKOS040747442T2614717-Hydroxy-11-(2-thienyl)-19-norpregna-4,9-dien-20-yn-3-one
Show more names
19-Norpregna-4,9-dien-20-yn-3-one, 17-hydroxy-11-(2-thienyl)-, (11β,17α)- (9CI)
17-Hydroxy-11-(thiophen-2-yl)-19-norpregna-4,9-dien-20-yn-3-one17-Hydroxy-11beta-(thiophen-2-yl)-17alpha-19-norpregna-4,9-dien-20-yn-3-one19-Norpregna-4,9-dien-20-yn-3-one, 17-hydroxy-11-(2-thienyl)-, (11beta,17alpha)-
Database identifiers
- CAS
67983-56-6- PubChem CID
- 125680
- DTXSID
DTXSID20987389
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 798
Physicochemical properties
- Boiling point
- 568.155 · 568.155±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.263 · 1.263±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.905 · 12.905±0.60(predicted)
Chemistry & industry
Applications
DescriptionRU 25055 is a synthetic antiglucocorticoid.
UsesRU-25055 is a potent antiglucocorticoid. RU-25055 inhibits early antigen production of the EpsteinBarr virus (EBV) by dexamethasone[1].
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Compound notes
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