| Field | Specification |
|---|---|
| Alternative names | PF-114 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C29H27F3N6O |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Vamotinib, also known as PF-114, is a potent, selective, orally active tyrosine kinase inhibitor that inhibits autophosphorylation of BCR/ABL and BCR/ABL-T315I, induces apoptosis, and shows anti-proliferative and anti-tumor activity, with potential application in research on resistant philadelphia chromosome-positive (Ph+) leukemia. It inhibits ABL series kinases with IC50 values of 0.49 nM (ABL), 0.78 nM (ABL T315I), 9.5 nM (ABL E255K), 2.0 nM (ABL F317I), 7.4 nM (ABL G250E), 1.0 nM (ABL H396P), 2.8 nM (ABL M351T), 12 nM (ABL Q252H), and 4.1 nM (ABL Y253F)[1][2]. As a click chemistry reagent, it contains an alkyne group that can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAC) with azide-containing molecules. It is supplied as an off-white to light yellow solid (C29H27F3N6O, MW 532.56) at 99.89% purity.
Physical & Chemical Properties
| CAS Number | 1416241-23-0 |
|---|---|
| Molecular Formula | C29H27F3N6O |
| Molecular Weight | 532.56 g/mol |
| Purity | 99.89% |
| Appearance | Solid |
| Color | Off-white to light yellow |
| SMILES | O=C(C1=CC=C(C)C(C#CC2=NN=C3C=CC=CN23)=C1)NC4=CC=C(CN5CCN(CC5)C)C(C(F)(F)F)=C4 |
| Signaling Pathway | Protein Tyrosine Kinase/RTK |
| Solubility | In Vitro: DMSO: 50 mg/mL (93.89 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | 4°C, sealed storage, away from moisture and light. In solvent: -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light). |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target
IC50: 0.49 nM (ABL), 0.78 nM (ABLT315I), 9.5 nM (ABLE255K), 2.0 nM (ABLF317I), 7.4 nM (ABLG250E), 1.0 nM (ABLH396P), 2.8 nM (ABLM351T), 12 nM (ABLQ252H), and 4.1 nM (ABLY253F)[2]
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 50 mg/mL (93.89 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 6 months) or -20°C (up to 1 month); sealed storage, away from moisture and light; avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | 2.5 mg/mL (4.69 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 2.5 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (4.69 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Data provided by the manufacturer.
In Vitro
Vamotinib (0-1 μM) inhibits ABL kinase and its mutants, with IC50s of 0.49, 0.78, and 1.0 μM for ABL, ABL(T315I), and ABL(H396P), respectively[1]. Vamotinib (0-1000 nM) inhibits autophosphorylation of BCR/ABL and BCR/ABL-T315I dose-dependently[1]. In Ba/F3 cells expressing native BCR/ABL, Vamotinib (0-2000 nM) shows anti-proliferative activity[1]. In Ba/F3 cells expressing BCR/ABL and BCR/ABL-T315I, Vamotinib (0-100 nM) induces apoptosis[1]. Vamotinib (0-1000 nM) inhibits growth of the Ph+ patient-derived cell lines K562, KCL-22, SupB15, Tom-1, and BV-173[1]. Vamotinib (0-1000 nM) suppresses growth of Ph+ PD-LTC, both those with nonmutational resistance and those with the T315I mutation[1].
Western Blot Analysis[1]
- Cell Line: Ba/F3 cells
- Concentration: 0, 10, 25, 50, 100, 500, 1000 nM
- Incubation Time:
- Result: Inhibited the autophosphorylation of BCR/ABL and BCR/ABL-T315I in a dose-dependent manner and inhibited substrate phosphorylation as shown by the reduced Crkl-phosphorylation and downstream activation of Stat5 by BCR/ABL, as well as by BCR/ABL-T315I.
Cell Proliferation Assay[1]
- Cell Line: Ba/F3 cells
- Concentration: 0, 50, 500, 2000 nM
- Incubation Time:
- Result: Potently inhibited proliferation of Ba/F3 cells expressing native BCR/ABL in a dose-dependent manner and shows no effects on empty vector-transduced Ba/F3 cells in the presence of IL-3 (10 ng/ml).
Apoptosis Analysis[1]
- Cell Line: Ba/F3 cells
- Concentration: 0-100 nM
- Incubation Time:
- Result: Induced apoptosis in Ba/F3 cells expressing BCR/ABL and BCR/ABL-T315I in a dose dependent manner.
In Vivo
Anti-tumor activity is shown by Vamotinib (25, 40 mg/kg; i.g.; daily for 14 consecutive days)[1]. In mice with BCR/ABL- and BCR/ABL-T315I-driven CML-like disease, Vamotinib (50 mg/kg; p.o.; once daily for 20 days) prolongs survival[1].
| Animal Model | Female BALB/cAnNRj-Foxn1nu mice (K562 nude mouse xenograft model)[1] |
|---|---|
| Dosage | 25, 40 mg/kg |
| Administration | Oral gavage; daily for 14 consecutive days |
| Result | Caused a 100% reduction of the mean tumor volume within 4 weeks. |
| Animal Model | 8-12 weeks, C57BL/6N mice (CML-like disease mouse model)[1] |
|---|---|
| Dosage | 50 mg/kg |
| Administration | P.o.; once daily for 20 days |
| Result | Extended median survival significantly from 28 days to 39. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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