Fedratinib hydrochlorideProduct ingredient for Fedratinib
- Name
- Fedratinib hydrochloride
- Drug Entry
- Fedratinib
Fedratinib, also known as SAR302503 and TG101348, is a tyrosine kinase inhibitor used to treat intermediate-2 and high risk primary and secondary myelofibrosis.2,7 It is an anilinopyrimidine derivative.6
Fedratinib was granted FDA approval on August 16, 2019.7
- Accession Number
- DBSALT002884
- Structure
Structure for Fedratinib hydrochloride (DBSALT002884)
- Synonyms
- Fedratinib dihydrochloride monohydrate / Fedratinib HCl / Fedratinib hydrochloride
- External IDs
- SAR302503A
- UNII
- UH9J2HBQWJ
- CAS Number
- 1374744-69-0
- Weight
- Average: 615.62
Monoisotopic: 614.2208804 - Chemical Formula
- C27H40Cl2N6O4S
- InChI Key
- QAFZLTVOFJHYDF-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H36N6O3S.2ClH.H2O/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4;;;/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31);2*1H;1H2
- IUPAC Name
- N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzene-1-sulfonamide hydrate dihydrochloride
- SMILES
- O.Cl.Cl.CC1=CN=C(NC2=CC=C(OCCN3CCCC3)C=C2)N=C1NC1=CC(=CC=C1)S(=O)(=O)NC(C)(C)C
- External Links
- ChemSpider
- 57490365
- Predicted Properties
Property Value Source Water Solubility 0.00949 mg/mL ALOGPS logP 4.27 ALOGPS logP 4.64 Chemaxon logS -4.7 ALOGPS pKa (Strongest Acidic) 10.21 Chemaxon pKa (Strongest Basic) 9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 108.48 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 147.88 m3·mol-1 Chemaxon Polarizability 57.46 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 Yes Chemaxon