ALK5 Inhibitor II

Chemical Information
RepSox is a member of the class of pyrazoles that is 1H-pyrazole substituted by 6-methylpyridin-2-yl and 1,5-naphthyridin-2-yl groups at positions 3 and 4, respectively. It is a potent and selective inhibitor of TGF-beta R1 kinase (IC50 = 4 nM) and ALK5 autophosphorylation and binding (IC50 = 23 nM). It has a role as an antineoplastic agent, a bone density conservation agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a TGFbeta receptor antagonist. It is a member of pyrazoles, a member of pyridines and a 1,5-naphthyridine derivative.
| CAS Number | 446859-33-2 |
| PubChem CID | 449054 |
| IUPAC Name | 2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine |
| Molecular Formula | C17H13N5 |
| Molecular Weight | 287.32 |
| XLogP | 2.2 |
| Topological Polar Surface Area | 67.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 376 |
| Property | Value |
|---|---|
| Molecular Weight | 287.32 |
| XLogP3 | 2.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 287.11709544 |
| Monoisotopic Mass | 287.11709544 |
| Topological Polar Surface Area | 67.4 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 376 |
| 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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