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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
Structure of RADOTINIB

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
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.

Approval Year

TargetsConditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
SUPECT

Approved Use

Second-line treatment of Chronic Myeloid Leukemia.

Launch Date

2011
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

Sample Use Guides

Take 300 mg or 400 mg twice daily.
Route of Administration: Oral
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 Fri Dec 15 19:19:43 GMT 2023
Edited
by admin
on Fri Dec 15 19:19:43 GMT 2023
Record UNII
I284LJY110
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RADOTINIB
INN   WHO-DD  
INN  
Official Name English
RADOTINIB [MI]
Common Name English
Radotinib [WHO-DD]
Common Name English
IY5511
Code English
4-METHYL-N-(3-(4-METHYLIMIDAZOL-1-YL)-5-TRIFLUOROMETHYLPHENYL)-3-(4-(PYRAZIN-2-YL)PYRIMIDIN-2-YLAMINO)BENZAMIDE
Systematic Name English
BENZAMIDE, 4-METHYL-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)-5-(TRIFLUOROMETHYL)PHENYL)-3-((4-(2-PYRAZINYL)-2-PYRIMIDINYL)AMINO)-
Systematic Name English
radotinib [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
Code System Code Type Description
DRUG BANK
DB12323
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
NCI_THESAURUS
C98110
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
DRUG CENTRAL
5188
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
INN
9242
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID90239069
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
IUPHAR
7814
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
EVMPD
SUB179788
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
PUBCHEM
16063245
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
WIKIPEDIA
Radotinib
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
MERCK INDEX
m11723
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
FDA UNII
I284LJY110
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
CAS
926037-48-1
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
SMS_ID
100000165894
Created by admin on Fri Dec 15 19:19:43 GMT 2023 , Edited by admin on Fri Dec 15 19:19:43 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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ACTIVE MOIETY