Ixazomib citrateProduct ingredient for Ixazomib
- Name
- Ixazomib citrate
- Drug Entry
- Ixazomib
Ixazomib a second generation proteasome inhibitor (PI) and the first oral PI approved by the FDA in November 2015 for multiple myeloma treatment in combination with 2 other therapies (lenalidomide and dexamethasone) for patients who have received at least 1 prior therapy. It was found to have similar efficacy to bortezomib (the first PI approved for multiple myeloma therapy) in the control of myeloma growth and prevention of bone loss. Ixazomib citrate is marketed by Takeda Pharmaceuticals under the brand name Ninlaro, which is a prodrug that becomes quickly converted to its active metabolite, ixazomib, after administration.
- Accession Number
- DBSALT001605
- Structure
- Synonyms
- Not Available
- UNII
- 46CWK97Z3K
- CAS Number
- 1239908-20-3
- Weight
- Average: 517.12
Monoisotopic: 516.087366 - Chemical Formula
- C20H23BCl2N2O9
- InChI Key
- MBOMYENWWXQSNW-AWEZNQCLSA-N
- InChI
- InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-19(32)20(34-21,7-16(27)28)8-17(29)30)25-15(26)9-24-18(31)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,31)(H,25,26)(H,27,28)(H,29,30)/t14-/m0/s1
- IUPAC Name
- 2-[4-(carboxymethyl)-2-[(1R)-1-{2-[(2,5-dichlorophenyl)formamido]acetamido}-3-methylbutyl]-5-oxo-1,3,2-dioxaborolan-4-yl]acetic acid
- SMILES
- CC(C)C[C@H](NC(=O)CNC(=O)C1=CC(Cl)=CC=C1Cl)B1OC(=O)C(CC(O)=O)(CC(O)=O)O1
- External Links
- ChemSpider
- 26286874
- ChEBI
- 90939
- ChEMBL
- CHEMBL3545432
- ZINC
- ZINC000200299610
- Wikipedia
- Ixazomib
- Predicted Properties
Property Value Source Water Solubility 0.0085 mg/mL ALOGPS logP 1.9 ALOGPS logP 2.99 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 3.49 Chemaxon pKa (Strongest Basic) -1.8 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 168.33 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 112.91 m3·mol-1 Chemaxon Polarizability 49.14 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon