| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 100mg | |||
| Other Sizes |
| Targets |
HG-6-64-1 targets B-Raf, a serine/threonine-protein kinase that plays a critical role in the MAPK/ERK signaling pathway. It is a potent and selective inhibitor of B-Raf, particularly the V600E mutant form, which is commonly found in various cancers. In addition to B-Raf, it also acts as a dual TAK1 and MAP4K2 inhibitor with IC50 values of 41 nM and 98 nM, respectively. It also inhibits ZAK, p38α, Src, Lyn, CSK, and EPH-family kinases at higher concentrations (IC50=50-100 nM).
|
|---|---|
| ln Vitro |
HG-6-64-1 demonstrates potent in vitro activity as a B-Raf inhibitor. It inhibits the proliferation of B-Raf V600E-transformed Ba/F3 cells with an IC50 of 0.09 μM. Its activity is confirmed in kinase assays using purified B-Raf enzyme. Its ability to inhibit both wild-type and mutant B-Raf makes it a valuable tool for studying the MAPK/ERK pathway.
|
| ln Vivo |
HG-6-64-1 has been used in research to study B-Raf-driven cancers. As a potent and selective B-Raf inhibitor, it is expected to suppress tumor growth in vivo in models of B-Raf-mutant cancers. However, specific in vivo efficacy data is limited in the provided sources.
|
| Enzyme Assay |
The primary in vitro assay for HG-6-64-1 is a cell-based proliferation assay using B-Raf V600E-transformed Ba/F3 cells. Cells are treated with varying concentrations of the compound, and cell viability is measured after a defined period. The IC50 of 0.09 μM is determined from the dose-response curve. Kinase activity assays using purified B-Raf can also be used to confirm direct inhibition.
|
| Cell Assay |
In vitro cellular experiments for HG-6-64-1 involve treating cancer cell lines harboring the B-Raf V600E mutation with the compound. The inhibition of B-Raf phosphorylation and downstream signaling, such as ERK phosphorylation, is assessed by Western blotting. Cell proliferation and viability are measured using MTT or similar assays.
|
| Animal Protocol |
In vivo animal experiments for HG-6-64-1 would involve administering the compound to mouse xenograft models of B-Raf-mutant cancers. Tumor growth inhibition would be monitored, and pharmacodynamic markers, such as the inhibition of ERK phosphorylation in tumor tissue, would be assessed.
|
| ADME/Pharmacokinetics |
HG-6-64-1 has a molecular weight of 352.22 g/mol and a molecular formula of C15H15Cl2N5O. It is a solid with a purity of ≥98%. It is typically stored as a powder at -20°C. Detailed pharmacokinetic parameters are not publicly available.
|
| Toxicity/Toxicokinetics |
HG-6-64-1 is a research compound that is not intended for human use. Its toxicological profile is not extensively characterized in the available literature. As with all research chemicals, standard safety precautions should be followed when handling.
|
| References | |
| Additional Infomation |
N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)vinyl]-4-methylbenzamide is a member of the benzamide class of compounds.
HG-6-64-1 is a potent and selective small-molecule inhibitor of B-Raf, with an IC50 of 0.09 μM against the V600E mutant in Ba/F3 cells. It also inhibits TAK1 and MAP4K2. It is used in research to study the MAPK/ERK pathway and B-Raf-driven cancers. The compound is available from various chemical suppliers for research purposes. |
| Molecular Formula |
C32H34F3N5O2
|
|---|---|
| Molecular Weight |
577.65
|
| Exact Mass |
577.266
|
| CAS # |
1315329-43-1
|
| PubChem CID |
53302361
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.3±0.1 g/cm3
|
| Index of Refraction |
1.651
|
| LogP |
6.24
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
8
|
| Rotatable Bond Count |
8
|
| Heavy Atom Count |
42
|
| Complexity |
911
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C)/C=C/C4=CN=C5C(=C4OC)C=CN5)C(F)(F)F
|
| InChi Key |
UMBFDGUGXMOMHX-BQYQJAHWSA-N
|
| InChi Code |
InChI=1S/C32H34F3N5O2/c1-4-39-13-15-40(16-14-39)20-25-9-10-26(18-28(25)32(33,34)35)38-31(41)23-6-5-21(2)22(17-23)7-8-24-19-37-30-27(11-12-36-30)29(24)42-3/h5-12,17-19H,4,13-16,20H2,1-3H3,(H,36,37)(H,38,41)/b8-7+
|
| Chemical Name |
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(E)-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)ethenyl]-4-methylbenzamide
|
| Synonyms |
HG6641; HG 6 64 1; HG-6-64-1
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ≥ 100 mg/mL (~173.12 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 3 mg/mL (5.19 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 3 mg/mL (5.19 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 30.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.7312 mL | 8.6558 mL | 17.3115 mL | |
| 5 mM | 0.3462 mL | 1.7312 mL | 3.4623 mL | |
| 10 mM | 0.1731 mL | 0.8656 mL | 1.7312 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
