Rebastinib tosylateProduct ingredient for Rebastinib
- Name
- Rebastinib tosylate
- Drug Entry
- Rebastinib
Rebastinib has been used in trials studying the treatment of Chronic Myeloid Leukemia. It is an inhibitor of Tie2 tyrosine kinase receptor and an antineoplastic agent.
- Accession Number
- DBSALT002929
- Structure
Structure for Rebastinib tosylate (DBSALT002929)
- Synonyms
- Rebastinib tosylate
- External IDs
- DCC 2036 / DCC-2036 / DP 1919TO
- UNII
- 042A5NJE6B
- CAS Number
- 1033893-29-6
- Weight
- Average: 725.8
Monoisotopic: 725.243181244 - Chemical Formula
- C37H36FN7O6S
- InChI Key
- ARPBZBAWXAVDCE-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H28FN7O3.C7H8O3S/c1-30(2,3)26-17-27(38(37-26)19-7-9-23-18(14-19)6-5-12-33-23)36-29(40)35-24-10-8-20(15-22(24)31)41-21-11-13-34-25(16-21)28(39)32-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-17H,1-4H3,(H,32,39)(H2,35,36,40);2-5H,1H3,(H,8,9,10)
- IUPAC Name
- 4-[4-({[3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl]carbamoyl}amino)-3-fluorophenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzene-1-sulfonic acid
- SMILES
- CC1=CC=C(C=C1)S(O)(=O)=O.CNC(=O)C1=CC(OC2=CC=C(NC(=O)NC3=CC(=NN3C3=CC4=CC=CN=C4C=C3)C(C)(C)C)C(F)=C2)=CC=N1
- External Links
- ChemSpider
- 28529617
- ChEMBL
- CHEMBL2107833
- Predicted Properties
Property Value Source Water Solubility 0.00431 mg/mL ALOGPS logP 4.93 ALOGPS logP 5.27 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 10.46 Chemaxon pKa (Strongest Basic) 4.69 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 123.06 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 153.79 m3·mol-1 Chemaxon Polarizability 57.52 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon