Sotrastaurin acetateProduct ingredient for Sotrastaurin
- Name
- Sotrastaurin acetate
- Drug Entry
- Sotrastaurin
Sotrastaurin has been used in trials studying the basic science and treatment of Uveal Melanoma, Richter Syndrome, Prolymphocytic Leukemia, Recurrent Mantle Cell Lymphoma, and Recurrent Small Lymphocytic Lymphoma, among others.
- Accession Number
- DBSALT002183
- Structure
Structure for Sotrastaurin acetate (DBSALT002183)
- Synonyms
- Sotrastaurin acetate
- UNII
- R1SIA15KZ1
- CAS Number
- 908351-31-5
- Weight
- Average: 498.543
Monoisotopic: 498.201553341 - Chemical Formula
- C27H26N6O4
- InChI Key
- RVEUYBMXVVDLFO-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H22N6O2.C2H4O2/c1-30-10-12-31(13-11-30)25-27-19-9-5-3-7-16(19)22(28-25)21-20(23(32)29-24(21)33)17-14-26-18-8-4-2-6-15(17)18;1-2(3)4/h2-9,14,26H,10-13H2,1H3,(H,29,32,33);1H3,(H,3,4)
- IUPAC Name
- 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-2,5-dihydro-1H-pyrrole-2,5-dione; acetic acid
- SMILES
- CC(O)=O.CN1CCN(CC1)C1=NC(C2=C(C(=O)NC2=O)C2=CNC3=C2C=CC=C3)=C2C=CC=CC2=N1
- External Links
- ChemSpider
- 28530648
- ChEMBL
- CHEMBL2105655
- Predicted Properties
Property Value Source Water Solubility 0.066 mg/mL ALOGPS logP 3.12 ALOGPS logP 3.27 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 9.66 Chemaxon pKa (Strongest Basic) 7.4 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 94.22 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 126.14 m3·mol-1 Chemaxon Polarizability 46.88 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon