| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| Other Sizes |
| Targets |
EPHA2 and EPHB4 (ephrin receptors). NVP-BHG712 isomer shows conserved non-bonded binding to EPHA2 and EPHB4. These receptors are involved in cell-cell communication, angiogenesis, and tumor progression. The compound inhibits EphB4 kinase activity, blocking downstream signaling pathways involved in cell migration and tumor growth.
|
|---|---|
| ln Vitro |
For EPHA2 and EPHA4, the NVP-BHG712 isomer's IC 50 values are 163 nM and 1660 nM, respectively[1].
NVP-BHG712 isomer exhibits IC₅0 values of 163 nM for EPHA2 and 1660 nM for EPHA4. The compound shows conserved non-bonded binding to EPHA2 and EPHB4. By blocking EphB4 kinase activity, it inhibits angiogenesis, cell migration, and tumor growth. The regioisomeric structure may provide distinct binding properties compared to the parent compound. |
| ln Vivo |
In vivo, NVP-BHG712 isomer would be expected to inhibit tumor growth and angiogenesis through EphB4 inhibition. Efficacy would be assessed in xenograft models of cancers where EphB4 is overexpressed. The compound may also affect vascular development and wound healing due to the role of ephrin receptors in these processes.
|
| Enzyme Assay |
Eph receptor kinase assays are performed using recombinant EPHA2 or EPHB4 kinase domains. The enzyme is incubated with ATP and a peptide substrate in the presence of serial dilutions of test compound. Phosphorylation of the substrate is detected by fluorescence or radiometric methods. IC₅0 values are calculated from dose-response curves.
|
| Cell Assay |
Cancer cell lines (e.g., those overexpressing EphB4 or EPHA2) are treated with NVP-BHG712 isomer at various concentrations. Cell proliferation is assessed using MTT or CellTiter-Glo assays. Cell migration is evaluated by wound healing or transwell migration assays. Apoptosis and signaling pathway modulation (e.g., Akt, MAPK) are assessed by Western blotting.
|
| Animal Protocol |
Mice bearing subcutaneous tumor xenografts are administered NVP-BHG712 isomer orally or intraperitoneally. Tumor growth is monitored by caliper measurements. Tumors are harvested for pharmacodynamic analysis of Eph receptor inhibition and downstream signaling. Angiogenesis is assessed by CD31 immunohistochemistry or other vascular markers.
|
| ADME/Pharmacokinetics |
The compound has a molecular weight of 503.48 g/mol and formula C2₆H20F3N₇O. It is soluble in DMSO (50 mg/mL) and insoluble in water. Standard PK parameters would be determined in rodent studies following IV and PO administration. The compound is formulated in suitable vehicles containing DMSO and co-solvents.
|
| Toxicity/Toxicokinetics |
Toxicology data for NVP-BHG712 isomer are not publicly available. Standard preclinical safety assessment would include cytotoxicity assays, hERG channel inhibition testing, and repeat-dose toxicology studies in rodents. Given the role of ephrin receptors in normal development, potential on-target toxicities would be evaluated.
|
| References | |
| Additional Infomation |
NVP-BHG712 isomer is a research compound for studying ephrin receptor signaling. It is not clinically approved. The compound is a regioisomer of NVP-BHG712, which has been studied as a potential anticancer agent. This isomer provides a tool for structure-activity relationship studies and for investigating the role of EPHA2 and EPHB4 in cancer and angiogenesis.
|
| Molecular Formula |
C₂₆H₂₀F₃N₇O
|
|---|---|
| Molecular Weight |
503.48
|
| Exact Mass |
503.168
|
| Elemental Analysis |
C, 62.02; H, 4.00; F, 11.32; N, 19.47; O, 3.18
|
| CAS # |
2245892-85-5
|
| Related CAS # |
NVP-BHG712;940310-85-0
|
| PubChem CID |
117602383
|
| Appearance |
Light yellow to yellow solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
564.3±50.0 °C at 760 mmHg
|
| Flash Point |
295.0±30.1 °C
|
| Vapour Pressure |
0.0±1.5 mmHg at 25°C
|
| Index of Refraction |
1.666
|
| LogP |
3.93
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
37
|
| Complexity |
786
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C(NC1=CC=CC(C(F)(F)F)=C1)(=O)C1=CC=C(C)C(NC2=NC(C3=CC=CN=C3)=NC3=NN(C)C=C32)=C1
|
| InChi Key |
MWKSRKSEWLRPBL-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C26H20F3N7O/c1-15-8-9-16(25(37)31-19-7-3-6-18(12-19)26(27,28)29)11-21(15)32-23-20-14-36(2)35-24(20)34-22(33-23)17-5-4-10-30-13-17/h3-14H,1-2H3,(H,31,37)(H,32,33,34,35)
|
| Chemical Name |
4-methyl-3-[(2-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
|
| Synonyms |
NVP-BHG712 isomer NVPisoNVP BHG712 isomer
|
| 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 |
| 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 : ~50 mg/mL (~99.31 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.97 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 25.0 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: ≥ 2.5 mg/mL (4.97 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.9862 mL | 9.9309 mL | 19.8618 mL | |
| 5 mM | 0.3972 mL | 1.9862 mL | 3.9724 mL | |
| 10 mM | 0.1986 mL | 0.9931 mL | 1.9862 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
