Verubulin hydrochloride

Chemical Information
Verubulin Hydrochloride is the hydrochloride salt form of verubulin, a quinazoline derivative with potential dual antineoplastic activities. Verubulin binds to and inhibits tubulin polymerization and interrupts microtubule formation, resulting in disruption of mitotic spindle assembly, cell cycle arrest in the G2/M phase, and cell death. This agent is not a substrate for several subtypes of multidrug resistance ABC transporters, such as P-glycoprotein, multidrug resistance-associated protein 1 (MRP1), and breast cancer resistance protein 1 (BCRP1); therefore, it may be useful for treating multidrug resistant (MDR) tumors that express these transporters. In addition, as a vascular disrupting agent (VDA), verubulin appears to disrupt tumor microvasculature specifically, which may result in acute ischemia and massive tumor cell death.
| CAS Number | 917369-31-4 |
| PubChem CID | 11638255 |
| IUPAC Name | N-(4-methoxyphenyl)-N,2-dimethylquinazolin-4-amine;hydrochloride |
| Molecular Formula | C17H18ClN3O |
| Molecular Weight | 315.8 |
| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 330 |
| Property | Value |
|---|---|
| Molecular Weight | 315.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 315.1138399 |
| Monoisotopic Mass | 315.1138399 |
| Topological Polar Surface Area | 38.3 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 330 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |
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