TAK-632 25mg

Chemical Information
TAK-632 is a member of the class of benzothiazoles that is 1,3-benzothiazole substituted by (cyclopropanecarbonyl)amino, 4-fluoro-3-{2-[3-(trifluoromethyl)phenyl]acetamido}phenoxy, and cyano groups at positions 2, 6 and 7, respectively. It is a potent pan-RAF inhibitor with IC50 of 1.4, 2.4 and 8.3 nM for CRAF, BRAFV600E, BRAFWT, respectively. It has a role as a necroptosis inhibitor, an antineoplastic agent, an apoptosis inducer, a B-Raf inhibitor and an EC 2.7.11.26 (tau-protein kinase) inhibitor. It is a secondary carboxamide, a nitrile, an aromatic ether, a member of benzothiazoles, a cyclopropylcarboxamide, a member of (trifluoromethyl)benzenes and a member of monofluorobenzenes.
| CAS Number | 1228591-30-7 |
| PubChem CID | 46209401 |
| IUPAC Name | N-[7-cyano-6-[4-fluoro-3-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenoxy]-1,3-benzothiazol-2-yl]cyclopropanecarboxamide |
| Molecular Formula | C27H18F4N4O3S |
| Molecular Weight | 554.5 |
| XLogP | 5.3 |
| Topological Polar Surface Area | 132 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 957 |
| Property | Value |
|---|---|
| Molecular Weight | 554.5 |
| XLogP3 | 5.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 554.10357427 |
| Monoisotopic Mass | 554.10357427 |
| Topological Polar Surface Area | 132 Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 957 |
| 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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