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Details

Stereochemistry ACHIRAL
Molecular Formula C27H21F3N8O.2ClH
Molecular Weight 603.426
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RADOTINIB HYDROCHLORIDE

SMILES

Cl.Cl.CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CN=CC=N5)=C3)=C2)C(F)(F)F

InChI

InChIKey=GEWCZTBAWRSKBX-UHFFFAOYSA-N
InChI=1S/C27H21F3N8O.2ClH/c1-16-3-4-18(9-23(16)37-26-33-6-5-22(36-26)24-13-31-7-8-32-24)25(39)35-20-10-19(27(28,29)30)11-21(12-20)38-14-17(2)34-15-38;;/h3-15H,1-2H3,(H,35,39)(H,33,36,37);2*1H

HIDE SMILES / InChI

Description

Radotinib (Supect) was developed and approved in Korea as a second-line Chronic Myeloid Leukemia treatment. The drug supresses cancer cells proliferation by inhibitiing BCR-ABL1 kinase which is a driver of Philadelphia chromosome-positive (Ph+) leukemia.

Originator

Ilyang Pharmaceutical
4

Approval Year

Unknown
149,124

Targets

Primary TargetPharmacologyConditionPotency
Bcr/Abl fusion protein
21
Inhibitor
8,504
 34.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Chronic myeloid leukemia
24
 Primary
Approved
8,583
SUPECT

Cmax

ValueDoseCo-administeredAnalytePopulation
250 ng/mL
400 mg 2 times / day multiple, oral
 RADOTINIB plasma
Homo sapiens

Doses

AEs

PubMed

Patents

20080096899
2
7501424
2
WO2010018895A1
2
WO2013147414A1
2

Sample Use Guides

In Vivo Use Guide
Take 300 mg or 400 mg twice daily.
Route of Administration: Oral
In Vitro Use Guide
Acute myeloid leukemia NB4, HL60, KASUMI-1 and THP-1 cells were incubated with various concentrations of radotinib (0, 1,10, and 100 uM) for 72 h at 37C. At 100 uM NB4 cells growth was inhibited to 18%.
ACTIVE MOIETY
Structure of RADOTINIB
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