Sapanisertib DiphosphateProduct ingredient for Sapanisertib
- Name
- Sapanisertib Diphosphate
- Drug Entry
- Sapanisertib
Sapanisertib has been used in trials studying the treatment of HCC, Solid Tumor, Gliosarcoma, Liver Cancer, and Glioblastoma, among others.
- Accession Number
- DBSALT002091
- Structure
Structure for Sapanisertib Diphosphate (DBSALT002091)
- Synonyms
- Not Available
- UNII
- 6AXE5IZ00D
- CAS Number
- 1422006-45-8
- Weight
- Average: 505.321
Monoisotopic: 505.08759928 - Chemical Formula
- C15H21N7O9P2
- InChI Key
- QSGFPHZWXWVYBU-UHFFFAOYSA-N
- InChI
- InChI=1S/C15H15N7O.2H3O4P/c1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10;2*1-5(2,3)4/h3-7H,1-2H3,(H2,17,20)(H2,16,18,19);2*(H3,1,2,3,4)
- IUPAC Name
- 5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine; bis(phosphoric acid)
- SMILES
- OP(O)(O)=O.OP(O)(O)=O.CC(C)N1N=C(C2=C(N)N=CN=C12)C1=CC=C2OC(N)=NC2=C1
- External Links
- ChemSpider
- 34986123
- Predicted Properties
Property Value Source Water Solubility 0.23 mg/mL ALOGPS logP 1.97 ALOGPS logP 1.64 Chemaxon logS -3.1 ALOGPS pKa (Strongest Acidic) 13.86 Chemaxon pKa (Strongest Basic) 4.07 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 121.67 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 97.69 m3·mol-1 Chemaxon Polarizability 32.65 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon