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Details

Stereochemistry ACHIRAL
Molecular Formula C27H21F3N8O.2ClH
Molecular Weight 603.4266
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RADOTINIB HYDROCHLORIDE

SMILES

Cc1ccc(cc1Nc2nccc(-c3cnccn3)n2)C(=Nc4cc(cc(c4)-n5cc(C)nc5)C(F)(F)F)O.Cl.Cl

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
Molecular Formula C27H21F3N8O
Molecular Weight 530.5049
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment:: description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/24705186

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

Unknown
116683
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
7701
 34.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Approved
7997
SUPECT

Approved Use

Second-line treatment of Chronic Myeloid Leukemia.

Launch Date

1.32537595E12
PubMed

PubMed

TitleDatePubMed
Efficacy and safety of radotinib in chronic phase chronic myeloid leukemia patients with resistance or intolerance to BCR-ABL1 tyrosine kinase inhibitors.
2014 Jul
Radotinib is an effective inhibitor of native and kinase domain-mutant BCR-ABL1.
2015 Sep
Patents

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%.
Substance Class Chemical
Created
by admin
on Sat Jun 26 12:52:28 UTC 2021
Edited
by admin
on Sat Jun 26 12:52:28 UTC 2021
Record UNII
EF516G9REZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RADOTINIB HYDROCHLORIDE
Common Name English
BENZAMIDE, 4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(2-PYRAZINYL)-2-PYRIMIDINYL)AMINO)-, HYDROCHLORIDE (1:2)
Systematic Name English
RADOTINIB HYDROCHLORIDE [WHO-DD]
Common Name English
Code System Code Type Description
PUBCHEM
131863586
Created by admin on Sat Jun 26 12:52:28 UTC 2021 , Edited by admin on Sat Jun 26 12:52:28 UTC 2021
PRIMARY
CAS
926037-85-6
Created by admin on Sat Jun 26 12:52:28 UTC 2021 , Edited by admin on Sat Jun 26 12:52:28 UTC 2021
PRIMARY
FDA UNII
EF516G9REZ
Created by admin on Sat Jun 26 12:52:28 UTC 2021 , Edited by admin on Sat Jun 26 12:52:28 UTC 2021
PRIMARY
Related Record Type Details
Structure of RADOTINIB
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of RADOTINIB
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