Vatalanib
Also known as N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine, Pynasunate, Vatalinib
Key facts
What buyers check first
- CAS number
- 212141-54-3
- Formula
- C20H15ClN4
- Molar mass
- 346.82 g/mol
- HS code
- 293339
- Category
- Oncology and immunology drugs
What is Vatalanib?
Plain description, key identifiers and synonyms
Vatalanib is a member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of pyridines, a member of phthalazines, a secondary amino compound and a member of monochlorobenzenes.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
- CAS number
- 212141-54-3 CAS number cross-checked
- Molecular formula
- C20H15ClN4
- UNII
- 5DX9U76296
- MDL number
- MFCD08458963
- InChIKey
- YCOYDOIWSSHVCK-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)
- SMILES (canonical and isomeric)
- C1=CC=C2C(=C1)C(=NN=C2NC3=CC=C(C=C3)Cl)CC4=CC=NC=C4
Synonyms
- N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
- Pynasunate
- Vatalinib
- CGP 79787
- N-(4-Chlorophenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine
- vatalanibum
- PTK787/ZK 222584
- 1-(4-chloroanilino)-4-(pyridylmethyl)phthalazine
- 1-(4-chloroanilino)-4-(pyridylmethyl)phthalazine dihydrochloride
- Vatalanib base
- Vatalanib free base
- Vatalanib (free base)
- 1-Phthalazinamine,N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-
- 1-Phthalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-
- PTK/ZK
- N-(4-chlorophenyl)-4-[(pyridin-4-yl)methyl]phthalazin-1-amine
- Vatalanib (dihydrochloride)
- Vatalanib HCl
- PTK787 dihydrochloride, CGP-797870 dihydrochloride, ZK-222584 dihydrochloride
- 1-(4-chloroanilino)-4-(4-pyridylmethyl)phthalazine
- (4-chlorophenyl)-[4-(4-pyridylmethyl)phthalazin-1-yl]amine
- PTK/ZK free base
- Kinome_3657
- Vatalanib (PTK787)
- Vatalanib (USAN/INN)
Show all 31 synonymsShow fewer synonyms
- CGP-79787 free base
- ZK-222584 free base
- N-(4-chlorophenyl)-4-(4-pyridylmethyl)phthalazin-1-amine
- (A) PTK787
- 1-Phtalazinamine, N-(4-chlorophenyl)-4-(4-pyridinylmethyl)-
- N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phtalazin-1-amine
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 | 346.82 g/molcalc.Computed value |
|---|---|
| Exact mass | 346.0985 Dacalc.Computed value |
| LogP (octanol/water) | 5.01calc.Computed value |
| Topological polar surface area | 50.7 ร
ยฒcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 25calc.Computed value |
| Rings | 4calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.05calc.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(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
4 rings, 24 atoms, the N-Phenyl-4-(pyridin-4-ylmethyl)phthalazin-1-amine ring system.
20 other chemicals share this scaffoldSafety 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.
Vatalanib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- ChinaUnclaimed profileVatalanibGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileVatalanibGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileVatalanibGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileVatalanibGrade, purity and minimum order on requestPrice on request
- United States, RestonUnclaimed profileVatalanibGrade, purity and minimum order on requestPrice on request
- China, GuangzhouUnclaimed profileVatalanibGrade, purity and minimum order on requestPrice on request
- Canada, Niagara-on-the-LakeUnclaimed profileVatalanibGrade, purity and minimum order on requestPrice on request
- United States, St. PaulUnclaimed profileVatalanibGrade, 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
13 suppliers in 4 countries
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Vatalanib price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Pharmacological actions
- Protein Kinase Inhibitors
Roles
- angiogenesis inhibitor
- antagonist
- antifibrotic agent
- antineoplastic agent
- enzyme inhibitor
- ophthalmology drug
- pharmaceutical
- protein kinase inhibitor
- tyrosine kinase inhibitor
- vascular endothelial growth factor receptor antagonist
Pharmacology
Vatalanib is an orally bioavailable anilinophthalazine with potential antineoplastic activity. Vatalanib binds to and inhibits the protein kinase domain of vascular endothelial growth factor receptors 1 and 2, both receptor tyrosine kinases are involved in angiogenesis. This agent also binds to and inhibits related receptor tyrosine kinases, including platelet-derived growth factor (PDGF) receptor, c-Kit, and c-Fms.
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 Vatalanib is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structureโฆ
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for Vatalanib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Vatalanib, based on the data on this page
What is Vatalanib?
What is the CAS number of Vatalanib?
What is the molecular formula and weight of Vatalanib?
What is Vatalanib used for?
Is Vatalanib hazardous?
What is the HS code of Vatalanib?
Where can I buy Vatalanib?
Where can I buy Vatalanib in India?
What is the price of Vatalanib?
Guides for buyers
Practical guides that help when you source, ship or handle Vatalanib
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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