| CAS No. | 1009104-85-1 |
|---|---|
| MDL No. | N/A |
| MF | C28H27N3O3 |
| MW | 453.50 |
| InChI Key | IJYPHMXWKKKHGT-VAWYXSNFSA-N |
| Pack Size | Purity | Price | Availability | Action |
|---|---|---|---|---|
| - | - | On Request | On Request | |
| Custom synthesis and bulk supply options are available upon request. | ||||
SIS3 free base is an enamide formed by the condensation of the amino group of 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline with the carboxy group of (2E)-3-(1-methyl-2-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acrylic acid. It functions as a Smad3 inhibitor and belongs to isoquinolines, pyrrolopyridines, monocarboxylic acid amides, aromatic ethers, enamides, and tertiary carboxamides. It is the conjugate base of SIS3 free base(1+).
| CAS No. | 1009104-85-1 |
|---|---|
| Product Name | SIS3 free base |
| Heavy Atom Count | 34 | Rotatable Bond Count | 5 |
| Atom Stereo Count | 0 | Bond Stereo Count | 1 |
| HBA | 5 | HBD | 0 |
| TPSA | 56.590 Ų | Charge | 0 |
| Exact Mass | 453.20524 | Complexity | 1389.30 |
| pKa | 5.875 | XLogP | 4.856 |