| CAS Number | 1235449-52-1 |
| Catalog Number | AG009CNH |
| Chemical Name | PI3K-alpha inhibitor 1 |
| IUPAC Name | N-hydroxy-2-[methyl-[[2-[6-(methylamino)pyridin-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxamide |
| InChI | InChI=1S/C23H25N9O3S/c1-24-18-4-3-14(10-25-18)20-28-17-9-16(36-19(17)21(29-20)32-5-7-35-8-6-32)13-31(2)23-26-11-15(12-27-23)22(33)30-34/h3-4,9-12,34H,5-8,13H2,1-2H3,(H,24,25)(H,30,33) |
| InChI Key | TWJZFXHSPBBPNI-UHFFFAOYSA-N |
| MDL Number | MFCD12827547 |
| Molecular Formula | C23H25N9O3S |
| Molecular Weight | 507.5681 |
| SMILES | ONC(=O)C=1C=NC(=NC1)N(CC1=CC=2N=C(N=C(C2S1)N1CCOCC1)C=1C=NC(=CC1)NC)C |
| Synonyms | BEBT-908,
1235449-52-1,
BEBT-908,
CUDC-908,
PI3Kalpha inhibitor 1,
CUDC 908,
SCHEMBL1284514,
BCP17145,
EX-A1176,
ZINC115744781,
CS-5445,
BEBT-908 pound CUDC-908 pound(c),
HY-19763,
N-hydroxy-2-[methyl-[[2-[6-(methylamino)pyridin-3-yl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]amino]pyrimidine-5-carboxamide,
PI3KAfAE'A centa' notA inverted exclamation markAfasA'A|AfAE'Adaggeratrade mark? inhibitor 1,
PI3K alpha inhibitor 1,
PI3K(alpha) inhibitor 1,
A16274,
|
| Complexity | 725 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 507.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 507.573g/mol |
| Monoisotopic Mass | 507.18g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 170A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number