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Central nervous system drugs

Radotinib

Also known as 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyrazin-2-yl)pyrimidin-2-yl]amino}benzamide

CAS 926037-48-1Formula C27H21F3N8OMolar mass 530.51 g/mol
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Radotinib chemical structure, C27H21F3N8O, CAS 926037-48-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
926037-48-1
Formula
C27H21F3N8O
Molar mass
530.51 g/mol
HS code
293359
Category
Central nervous system drugs

What is Radotinib?

Plain description, key identifiers and synonyms

Radotinib is a second-generation tyrosine kinase inhibitor of Bcr-Abl fusion protein and the platelet-derived growth factor receptor (PDGFR), with potential antineoplastic activity. Upon administration, radotinib specifically inhibits the Bcr-Abl fusion protein, an abnormal enzyme expressed in Philadelphia chromosome positive chronic myeloid leukemia (CML) cells. In addition, this agent also inhibits PDGFR thereby blocking PDGFR-mediated signal transduction pathways. The inhibitory effect of radotinib on these specific tyrosine kinases may decrease cellular proliferation and inhibit angiogenesis. PDGFR, upregulated in many tumor cell types, is a receptor tyrosine kinase essential to cell migration and the development of the microvasculature.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide
CAS number
926037-48-1 CAS number cross-checked
Molecular formula
C27H21F3N8O
UNII
I284LJY110
MDL number
MFCD27956910
InChIKey
DUPWHXBITIZIKZ-UHFFFAOYSA-N
InChI
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)
SMILES (canonical and isomeric)
CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=NC=CN=C5

Synonyms

  • 4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyrazin-2-ylpyrimidin-2-yl)amino]benzamide
  • 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-yl)amino)benzamide
  • 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(pyrazin-2-yl)pyrimidin-2-yl]amino}benzamide
  • 4-Methyl-N-(3-(4-methylimidazol-1-yl)-5-trifluoromethylphenyl)-3-(4-(pyrazin-2-yl)pyrimidin-2-ylamino)benzamide
  • radotinibum
  • 4-methyl-N-(3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-pyrazin-2-ylpyrimidin-2-yl)amino)benzamide
  • supect
  • Radotinib(IY-5511)
  • Benzamide, 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(2-pyrazinyl)-2-pyrimidinyl]amino]-
  • Benzamide, 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(2-pyrazinyl)-2-pyrimidinyl)amino)-
  • 926037-48-1 (free base)
  • Radotinib (IY-5511)
  • Radotinib, IY-5511,
  • Radotinib (IY-5511)?
  • 2?,3?,17?-Trihydroxy-7?-6-oxo-5?-androstan
  • 4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-3-((4-(pyrazin-2-yl)pyrimidin-2-
  • 4-Methyl-N-(3-(4-Methyl-1H-Imidazole-1-Yl)-5-(Trifluoromethyl)Phenyl)-3-(4-(Pyrazine-2-Yl)Pyrimidine-2-Yl)Amino)Benzamide

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
530.51 g/molcalc.
Exact mass
530.179 Dacalc.
LogP (octanol/water)
5.75calc.
Topological polar surface area
110.5 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
6calc.
Heavy atoms
39calc.
Rings
5calc.
Aromatic rings
5calc.
Fraction sp3 carbons
0.11calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Nc2nccc(-c3cnccn3)n2)c1

O=C(Nc1cccc(-n2ccnc2)c1)c1cccc(Nc2nccc(-c3cnccn3)n2)c1

5 rings, 33 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Radotinib suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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Radotinib price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Roles

  • antidyskinesia agent
  • antineoplastic agent
  • antiparkinson drug
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Radotinib is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Radotinib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Radotinib, based on the data on this page

What is Radotinib?

Radotinib is a second-generation tyrosine kinase inhibitor of Bcr-Abl fusion protein and the platelet-derived growth factor receptor (PDGFR), with potential antineoplastic activity.

What is the CAS number of Radotinib?

The CAS registry number of Radotinib is 926037-48-1.

What is the molecular formula and weight of Radotinib?

The molecular formula of Radotinib is C27H21F3N8O and its molar mass is 530.51 g/mol.

What is Radotinib used for?

Known uses and roles of Radotinib include cns agents in pharmaceuticals, antidyskinesia agent, antineoplastic agent, antiparkinson drug and pharmaceutical.

Is Radotinib hazardous?

No GHS hazard classification for Radotinib is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Radotinib?

Radotinib is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Radotinib?

CompoundList lists 3 suppliers of Radotinib in China and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Radotinib?

Suppliers quote Radotinib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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