JNJ-63576253 free base

Chemical Information
Androgen Receptor Antagonist TRC253 is an orally bioavailable androgen receptor (AR) antagonist, with potential antineoplastic activity. Upon oral administration, AR antagonist TRC253 specifically binds to both wild-type and certain mutant forms of AR, thereby preventing androgen-induced receptor activation and facilitating the formation of inactive complexes that cannot translocate to the nucleus. This prevents binding to and transcription of AR-responsive genes, inhibits the expression of genes that regulate prostate cancer cell proliferation, and may lead to an inhibition of growth of tumor cells in which AR is overexpressed and/or mutated. AR is often overexpressed and/or mutated in prostate cancers and plays a key role in proliferation, survival and chemoresistance of tumor cells.
| CAS Number | 2110426-27-0 |
| PubChem CID | 130229812 |
| IUPAC Name | 5-[8-oxo-5-(6-piperidin-4-yloxy-3-pyridinyl)-6-sulfanylidene-5,7-diazaspiro[3.4]octan-7-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile |
| Molecular Formula | C23H21F3N6O2S |
| Molecular Weight | 502.5 |
| XLogP | 3 |
| Topological Polar Surface Area | 126 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 884 |
| Property | Value |
|---|---|
| Molecular Weight | 502.5 |
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 4 |
| Exact Mass | 502.13987959 |
| Monoisotopic Mass | 502.13987959 |
| Topological Polar Surface Area | 126 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 884 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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