Vactosertib
Also known as TEW 7197, N-[[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1h-imidazol-2-yl]methyl]-2-fluoroaniline, N-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methyl)-2-fluoroaniline
Key facts
What buyers check first
- CAS number
- 1352608-82-2
- Formula
- C22H18FN7
- Molar mass
- 399.43 g/mol
- HS code
- 293339
- Category
- Screening compounds
What is Vactosertib?
Plain description, key identifiers and synonyms
Vactosertib is an orally bioavailable inhibitor of the serine/threonine kinase, transforming growth factor (TGF)-beta receptor type 1 (TGFBR1), also known as activin receptor-like kinase 5 (ALK5), with potential antineoplastic activity. Upon oral administration, vactosertib inhibits the activity of TGFBR1 and prevents TGF-beta/TGFBR1-mediated signaling. This suppresses tumor growth in TGFBR1-overexpressing tumor cells. TGFBR1, which is overexpressed in a variety of tumor cell types, plays a key role in tumor cell proliferation. Expression of TGF-beta promotes tumor cell proliferation, enhances the migration of tumor cells and suppresses the response of the host immune system to tumor cells.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
- CAS number
- 1352608-82-2 CAS number cross-checked
- Molecular formula
- C22H18FN7
- UNII
- 6T4O391P5Y
- MDL number
- MFCD28348363
- InChIKey
- FJCDSQATIJKQKA-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H18FN7/c1-14-5-4-8-18(27-14)22-21(15-9-10-20-25-13-26-30(20)12-15)28-19(29-22)11-24-17-7-3-2-6-16(17)23/h2-10,12-13,24H,11H2,1H3,(H,28,29)
- SMILES (canonical and isomeric)
- CC1=NC(=CC=C1)C2=C(N=C(N2)CNC3=CC=CC=C3F)C4=CN5C(=NC=N5)C=C4
Synonyms
- TEW 7197
- N-[[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1h-imidazol-2-yl]methyl]-2-fluoroaniline
- N-((4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methyl)-2-fluoroaniline
- 2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
- N-((4-((1,2,4)triazolo(1,5-a)pyridin-6-yl)-5-(6-methylpyridin-2-yl)-1H-imidazol-2-yl)methyl)-2-fluoroaniline
- vactosertibum
- 2-fluoro-N-((5-(6-methylpyridin-2-yl)-4-((1,2,4)triazolo(1,5-a)pyridin-6-yl)-1H-imidazol-2-yl)methyl)aniline
- TGFBR1 Inhibitor TEW-7197
- EW 7197
- Vactosertib (TEW-7197)
- N-(2-Fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-[1,2,4]triazolo-[1,5-a]pyridin-6-yl-1H-imidazole-2-methanamine
- N-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-[1,2,4]triazolo[1,5-a]pyridin-6-yl-1H-imidazole-2-methanamine
- 2-fluoro-N-{[4-(6-methylpyridin-2-yl)-5-{[1,2,4]triazolo[1,5-a]pyridin-6-yl}-1H-imidazol-2-yl]methyl}aniline
- 2-Fluoro-N-((4-(6-methylpyridin-2-yl)-5-((1,2,4)triazolo(1,5-a)pyridin-6-yl)-1H-imidazol-2-yl)methyl)aniline
- 2-Fluoro-N-{[4-(6-methylpyridin-2-yl)-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl}aniline
- 1H-Imidazole-2-methanamine,N-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-[1,2,4]triazolo[1,5-a]pyridin-6-yl-
- EW-7197?
- 2-fluoro-N-[[5-(6-methylpyridin-2-yl)-4-([1,2,4]triazol
- 1H-Imidazole-2-methanamine, N-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-(1,2,4)triazolo(1,5-a)pyridin-6-yl-
- 2-fluoro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
- 2-fluoro-N-[[5-(6-methyl-2-pyridyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
- N-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-4-[1,2,4]triazolo[1,5- a]pyridin-6-yl-1H-Imidazole-2-methanamine
- N-[[4-([1,2,4]Triazolo[1,5-a]pyridin-6-yl)-5-(6-methyl-2-pyridyl)-2-imidazolyl]methyl]-2-fluoroaniline
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 | 399.43 g/molcalc.Computed value |
|---|---|
| Exact mass | 399.1608 Dacalc.Computed value |
| LogP (octanol/water) | 4.24calc.Computed value |
| Topological polar surface area | 83.79 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 30calc.Computed value |
| Rings | 5calc.Computed value |
| Aromatic rings | 5calc.Computed value |
| Fraction sp3 carbons | 0.09calc.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
c1ccc(NCc2nc(-c3ccc4ncnn4c3)c(-c3ccccn3)[nH]2)cc1
5 rings, 28 atoms.
5 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.
Vactosertib suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, WuhanUnclaimed profileVactosertibGrade, purity and minimum order on requestPrice on request
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1 supplier in 1 country
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Vactosertib 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
- Protein Kinase Inhibitors
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 Vactosertib is traded under.
Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…
- Germany14.2%
- United States12.8%
- Brazil10.1%
* Partner reported figures, a lower bound.
The HS code shown for Vactosertib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Vactosertib, based on the data on this page
What is Vactosertib?
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What is the molecular formula and weight of Vactosertib?
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What is the HS code of Vactosertib?
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Guides for buyers
Practical guides that help when you source, ship or handle Vactosertib
- 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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