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Pelitinib chemical structure, C24H23ClFN5O2, CAS 257933-82-7
2D chemical structure

Key facts

What buyers check first

CAS number
257933-82-7
Formula
C24H23ClFN5O2
Molar mass
467.93 g/mol
EC number
803-625-4
HS code
293349
Category
Screening compounds

What is Pelitinib?

Plain description, key identifiers and synonyms

Pelitinib is a nitrile, a monocarboxylic acid amide, an aminoquinoline and a member of monochlorobenzenes. It has a role as a protein kinase inhibitor.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CAS number
257933-82-7 CAS number cross-checkedOther or deprecated CAS: 326894-84-2
EC number
803-625-4
Molecular formula
C24H23ClFN5O2
UNII
X5DWL380Z6
MDL number
MFCD09837868
InChIKey
WVUNYSQLFKLYNI-AATRIKPKSA-N
InChI
InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
Canonical SMILES
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C
Isomeric SMILES
CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)/C=C/CN(C)C

Synonyms

  • EKB 569
  • WAY-EKB 569
  • EKI 569
  • (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
  • 2-Butenamide, N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-, (2E)-
  • (2E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
  • pelitinibum
  • (E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-dimethylaminobut-2-enamide
  • (E)-N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl]-4-dimethylaminobut-2-enamide
  • 2-Butenamide, N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-, (2E)-
  • Pelitinib (EKB-569)
  • (E)-N-(4-(3-chloro-4-fluorophenylamino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
  • (E)-N-(4-((3-Chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
  • (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
  • C24H23ClFN5O2
  • (2E)-N-(4-((3-chloro-4-fluorophenyl)amino)-3-cyano-7-ethoxy-6-quinolinyl)-4-(dimethylamino)-2-butenamide
  • (E)-N-[4-(3-chloro-4-fluoro-anilino)-3-cyano-7-ethoxy-6-quinolyl]-4-(dimethylamino)but-2-enamide
  • 2-Butenamide,N-[4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-
  • 3-Cyano-4-[(3-chloro-4-fluorophenyl)amino]-6-[[4-(N,N-dimethylamino)-1-oxo-2-buten-1-yl]amino]-7-ethoxyquinoline
  • Pelitinib (USAN/INN)
  • 2-Butenamide, (E)-,
  • 4-chloro-2-amino-benzoic ac
  • Sdccgsbi-0654367.p001
  • Pelitinib (EKB-569, WAY-EKB 569)
  • Pelitinib (EKB-569, WAY-EKB 569)?
Show all 31 synonyms
  • (2E)-N-(-((3-Chloro-4-fluorophenyl)amino)3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
  • (2E)-N-[4-[(3-Chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxy-6-quinolinyl]-4-dimethylamino-2-butenamide
  • (E)-N-[4-(3-chloro-4-fluoroanilino)-3-cyano-7-ethoxy-6-quinolinyl]-4-(dimethylamino)-2-butenamide
  • (E)-N-[4-(3-Chloro-4-fluoroanilino)-cyano-7-ethoxyquinolin-6-yl]-4-(dimethlyamino)but-2-enamide, (IUPAC)
  • (E)-N-[4-[(3-chloranyl-4-fluoranyl-phenyl)amino]-3-cyano-7-ethoxy-quinolin-6-yl]-4-(dimethylamino)but-2-enamide
  • 4-Dimethylaminobut-2-enoic Acid, [4-(3-Chloro-4-fluoro phenylamino)-3-cyano-7-ethoxyquinoline-6-yl]amide

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
467.93 g/molcalc.
Exact mass
467.1524 Dacalc.
LogP (octanol/water)
5.1calc.
Topological polar surface area
90.28 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
8calc.
Heavy atoms
33calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.21calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (1 violation)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, c1ccc(Nc2ccnc3ccccc23)cc1

c1ccc(Nc2ccnc3ccccc23)cc1

3 rings, 17 atoms, the N-Phenylquinolin-4-amine ring system.

660 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Pelitinib suppliers

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Where suppliers are based

9 suppliers in 2 countries

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Pelitinib price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antineoplastic Agents
  • Protein Kinase Inhibitors

Roles

  • antineoplastic agent
  • enzyme inhibitor
  • pharmaceutical
  • protein kinase inhibitor

Pharmacology

Pelitinib is a 3-cyanoquinoline pan-ErbB tyrosine kinase inhibitor with potential antineoplastic activity. Pelitinib irreversibly binds covalently to epidermal growth factor receptors (EGFR) ErbB-1, -2 and -4, thereby inhibiting receptor phosphorylation and signal transduction and resulting in apoptosis and suppression of proliferation in tumor cells that overexpress these receptors.

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 Pelitinib is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pelitinib?

Pelitinib is a nitrile, a monocarboxylic acid amide, an aminoquinoline and a member of monochlorobenzenes. It has a role as a protein kinase inhibitor.

What is the CAS number of Pelitinib?

The CAS registry number of Pelitinib is 257933-82-7. Other or deprecated CAS numbers: 326894-84-2.

What is the molecular formula and weight of Pelitinib?

The molecular formula of Pelitinib is C24H23ClFN5O2 and its molar mass is 467.93 g/mol.

What is Pelitinib used for?

Known uses and roles of Pelitinib include building blocks in research and laboratory, screening compounds in research and laboratory, biochemical and pharmacological tools in research and laboratory, antineoplastic agent, enzyme inhibitor and 4 more.

Is Pelitinib hazardous?

Pelitinib carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Pelitinib?

Pelitinib is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pelitinib?

CompoundList lists 9 suppliers of Pelitinib 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 Pelitinib?

Suppliers quote Pelitinib 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

Practical guides that help when you source, ship or handle Pelitinib

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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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