LDN-212854 100mg

Chemical Information
LDN-212854 is a member of the class of quinolines that is quinoline substituted by a 6-[4-(piperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl group at position 5. It is a potent ALK inhibitor (IC50 values of 2.4, 1.3, 85.8, 2,133 and 9,276 nM for ALK1, ALK2, ALK3, ALK4 and ALK5, respectively). It has a role as an EC 2.7.11.30 (receptor protein serine/threonine kinase) inhibitor, an antineoplastic agent and an angiogenesis inhibitor. It is a member of quinolines, a pyrazolopyrimidine and a N-arylpiperazine.
| CAS Number | 1432597-26-6 |
| PubChem CID | 60182388 |
| IUPAC Name | 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline |
| Molecular Formula | C25H22N6 |
| Molecular Weight | 406.5 |
| XLogP | 3.3 |
| Topological Polar Surface Area | 58.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 587 |
| Property | Value |
|---|---|
| Molecular Weight | 406.5 |
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 406.19059473 |
| Monoisotopic Mass | 406.19059473 |
| Topological Polar Surface Area | 58.4 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 587 |
| 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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