MCB-613

Chemical Information
MCB-613 is a cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells. It has a role as an antineoplastic agent and a steroid receptor coactivator stimulator. It is a member of pyridines, a cyclic ketone and an enone.
| CAS Number | 1162656-22-5 |
| PubChem CID | 2175947 |
| IUPAC Name | (2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one |
| Molecular Formula | C20H20N2O |
| Molecular Weight | 304.4 |
| XLogP | 3.7 |
| Topological Polar Surface Area | 42.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 440 |
| Property | Value |
|---|---|
| Molecular Weight | 304.4 |
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 304.157563266 |
| Monoisotopic Mass | 304.157563266 |
| Topological Polar Surface Area | 42.9 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 440 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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