Pelitinib
Also known as EKB 569, WAY-EKB 569, EKI 569
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 synonymsShow fewer 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.Computed value |
|---|---|
| Exact mass | 467.1524 Dacalc.Computed value |
| LogP (octanol/water) | 5.1calc.Computed value |
| Topological polar surface area | 90.28 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 33calc.Computed value |
| Rings | 3calc.Computed value |
| Aromatic rings | 3calc.Computed value |
| Fraction sp3 carbons | 0.21calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(Nc2ccnc3ccccc23)cc1
3 rings, 17 atoms, the N-Phenylquinolin-4-amine ring system.
660 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
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 aidPelitinib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- China, SuzhouUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- China, SuzhouUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- China, ChengduUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- United States, HopkintonUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- United States, St. PaulUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
- China, KunshanUnclaimed profilePelitinibGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
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
Industries and functions
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.
Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…
- China30.1%
- India * partner reported16.7%
- Switzerland * partner reported14.1%
- United Kingdom19.2%
- Germany16.0%
- Romania8.3%
* Partner reported figures, a lower bound.
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?
What is the CAS number of Pelitinib?
What is the molecular formula and weight of Pelitinib?
What is Pelitinib used for?
Is Pelitinib hazardous?
What is the HS code of Pelitinib?
Where can I buy Pelitinib?
What is the price of Pelitinib?
Guides for buyers
Practical guides that help when you source, ship or handle Pelitinib
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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