CC90001 free base 25mg

Chemical Information
JNK1 Inhibitor BMS-986360 is an orally bioavailable, second-generation inhibitor of c-Jun N-terminal kinase 1 (JNK-1; JNK1; mitogen-activated protein kinase 8; MAPK8), with potential antineoplastic, anti-inflammatory and anti-fibrotic activities. Upon oral administration, JNK1 inhibitor BMS-986360 selectively targets, binds to and inhibits the activity of JNK1. Inhibition of JNK1-mediated mitogen-activated protein kinase (MAPK)-signaling pathways induces cell cycle arrest and apoptosis, decreases migration and invasion, and inhibits proliferation in JNK1-overexpressing cancer cells. Inhibition of JNK1-mediated pathways may also decrease fibrosis. JNK1, a member of the MAPK family and stress-activated protein, plays a role in the MAPK-mediated signaling pathway. It is often dysregulated in cancer cells and fibrosis.
| CAS Number | 1403859-14-2 |
| PubChem CID | 71237511 |
| IUPAC Name | 2-(tert-butylamino)-4-[[(1R,3R,4R)-3-hydroxy-4-methylcyclohexyl]amino]pyrimidine-5-carboxamide |
| Molecular Formula | C16H27N5O2 |
| Molecular Weight | 321.42 |
| XLogP | 2.3 |
| Topological Polar Surface Area | 113 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 412 |
| Property | Value |
|---|---|
| Molecular Weight | 321.42 |
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 321.21647512 |
| Monoisotopic Mass | 321.21647512 |
| Topological Polar Surface Area | 113 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 412 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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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