RADOTINIB

Possibly Marketed Outside US

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H21F3N8O
Molecular Weight	530.5038
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

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

InChI

InChIKey=DUPWHXBITIZIKZ-UHFFFAOYSA-N

InChI=1S/C27H21F3N8O/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)

HIDE SMILES / InChI

Molecular Formula	C27H21F3N8O
Molecular Weight	530.5038
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Bcr/Abl fusion protein 16	Inhibitor 8,297		34.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Chronic myeloid leukemia 25	Primary		Approved 8,429	SUPECT

PubMed

Title	Date	PubMed
No data available in table

Patents

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%.