Vebreltinib
Also known as Bozitinib, 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine, Vebreltinib (USAN)
Key facts
What buyers check first
- CAS number
- 1440964-89-5
- Formula
- C20H15F3N8
- Molar mass
- 424.39 g/mol
- HS code
- 293319
- Category
- Screening compounds
What is Vebreltinib?
Plain description, key identifiers and synonyms
Vebreltinib is an orally bioavailable inhibitor of the proto-oncogene c-Met (hepatocyte growth factor receptor, HGFR) with potential antineoplastic activity. Upon administration, vebreltinib selectively binds to c-Met, thereby inhibiting c-Met phosphorylation and disrupting c-Met signal transduction pathways. This may induce cell death in tumor cells overexpressing or expressing constitutively activated c-Met protein. c-Met, a receptor tyrosine kinase overexpressed or mutated in many tumor cell types, plays key roles in tumor cell proliferation, survival, invasion, metastasis, and tumor angiogenesis.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
- CAS number
- 1440964-89-5
- Molecular formula
- C20H15F3N8
- UNII
- 2WZP8A9VFN
- MDL number
- MFCD32201071
- InChIKey
- QHXLXUIZUCJRKV-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H15F3N8/c1-29-9-11-6-14(15(21)7-17(11)27-29)20(22,23)19-26-25-18-5-4-16(28-31(18)19)12-8-24-30(10-12)13-2-3-13/h4-10,13H,2-3H2,1H3
- SMILES (canonical and isomeric)
- CN1C=C2C=C(C(=CC2=N1)F)C(C3=NN=C4N3N=C(C=C4)C5=CN(N=C5)C6CC6)(F)F
Synonyms
- Bozitinib
- 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
- Vebreltinib (USAN)
- 6-(1-cyclopropylpyrazol-4-yl)-3-(difluoro-(6-fluoro-2-methylindazol-5-yl)methyl)-(1,2,4)triazolo(4,3-b)pyridazine
- 1,2,4-Triazolo(4,3-b)pyridazine, 6-(1-cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2H-indazol-5-yl)methyl)-
- 6-(1-Cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2H-indazol-5-yl)methyl)-1,2,4-triazolo(4,3-b)pyridazine
- Bozitinib (PLB-1001)
- 6-(1-Cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2H-indazol-5-yl)methyl)-[1,2,4]triazolo[4,3-b]pyridazine
- 5-{[6-(1-cyclopropyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]difluoromethyl}-6-fluoro-2-methyl-2H-indazole
- 1,2,4-Triazolo(4,3-b)pyridazine, 6-(1-cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6- fluoro-2-methyl-2H-indazol-5-yl)methyl)-
- 6-(1-Cyclopropyl-1H-pyrazol-4-yl)-3-(difluoro(6-fluoro-2-methyl-2H-indazol-5- yl)methyl)-1,2,4-triazolo(4,3-b)pyridazine
- PLB-1001?
- WHO 11677
- US9695175, 44
- PLB-1001, T-101, APL-101, CBI-3103
- 6-(1-Cyclopropyl-4-pyrazolyl)-3-[difluoro(6-fluoro-2-methyl-2H-indazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
- 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methyl-indazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine
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 | 424.39 g/molcalc.Computed value |
|---|---|
| Exact mass | 424.1372 Dacalc.Computed value |
| LogP (octanol/water) | 3.49calc.Computed value |
| Topological polar surface area | 78.72 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 31calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 5calc.Computed value |
| Fraction sp3 carbons | 0.25calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)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
c1cc2[nH]ncc2cc1Cc1nnc2ccc(-c3cnn(C4CC4)c3)nn12
6 rings, 27 atoms.
1 other chemical 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.
Vebreltinib suppliers
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Vebreltinib 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
Roles
- antineoplastic agent
- 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 Vebreltinib is traded under.
Compounds containing an unfused pyrazole ring (whether or not hydrogenated) in the…
- China21.6%
- Switzerland * partner reported20.5%
- Germany19.0%
* Partner reported figures, a lower bound.
The HS code shown for Vebreltinib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Vebreltinib, based on the data on this page
What is Vebreltinib?
What is the CAS number of Vebreltinib?
What is the molecular formula and weight of Vebreltinib?
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Is Vebreltinib hazardous?
What is the HS code of Vebreltinib?
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Guides for buyers
Practical guides that help when you source, ship or handle Vebreltinib
- 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
- 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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