| CAS Number | 2201057-10-3 |
| Catalog Number | AG01FNV6(AGN-PC-3H4BIM) |
| Chemical Name | MAT2A inhibitor |
| IUPAC Name | 6-(2-methyl-1,3-benzothiazol-6-yl)-2,3-diphenyl-5-(pyridin-2-ylamino)-4H-pyrazolo[1,5-a]pyrimidin-7-one |
| InChI | InChI=1S/C31H22N6OS/c1-19-33-23-16-15-22(18-24(23)39-19)27-29(34-25-14-8-9-17-32-25)35-30-26(20-10-4-2-5-11-20)28(36-37(30)31(27)38)21-12-6-3-7-13-21/h2-18,35H,1H3,(H,32,34) |
| InChI Key | ZTNQNZDNHUAVEI-UHFFFAOYSA-N |
| MDL Number | MFCD31657415 |
| Molecular Formula | C31H22N6OS |
| Molecular Weight | 526.611 |
| SMILES | O=C1C(C2=CC=C3N=C(C)SC3=C2)=C(NC4=NC=CC=C4)NC5=C(C6=CC=CC=C6)C(C7=CC=CC=C7)=NN15 |
| Synonyms | MAT2A inhibitor,
SCHEMBL19924486,
HY-112131,
CS-0043446,
2201057-10-3,
|
| Complexity | 917 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 526.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 39 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 526.618g/mol |
| Monoisotopic Mass | 526.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 7.1 |
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Certificate of Analysis
Lot Number