| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
Grb2 SH2-phosphopeptide[1]
The molecular target of CGP78850 is the SH2 domain of the adaptor protein Grb2 (Growth factor receptor-bound protein 2). This domain normally binds to phosphotyrosine motifs on activated receptors (e.g., EGFR), initiating Ras signaling pathways. |
|---|---|
| ln Vitro |
In a dose-dependent manner, CGP78850 (0~100 μM; 90 minutes; MDA-MB-468 cells) decreases the quantity of related Grb2 protein[1]. Epidermal growth factor receptor (EGFR)-Grb2 and Shc-Grb2 interactions are blocked in live cells by CGP78850. In a dose-dependent way, CGP78850 prevents MDA-MB-468 cells from forming colonies on soft agar[1].
In MDA-MB-468 cells, CGP78850 (0-100 uM, 90 min) reduces the amount of Grb2 protein associated with active EGFR/Shc adaptors in a dose-dependent manner. It also inhibits colony formation in soft agar assays. |
| ln Vivo |
In vivo data are not reported for CGP78850. Its biological effects have primarily been validated in cellular systems. In vivo efficacy for such inhibitors is typically evaluated in murine xenograft models of cancer.
|
| Enzyme Assay |
Not specified. Standard Grb2 SH2 binding assays are performed using Surface Plasmon Resonance (SPR) or Fluorescence Polarization (FP). Immobilized phosphopeptides are exposed to the Grb2 SH2 domain and test compound.
|
| Cell Assay |
Western Blot Analysis[1]
Cell Types: MDA-MB-468 cells Tested Concentrations: 0~100 μM Incubation Duration: 90 minutes Experimental Results: diminished the amount of associated Grb2 protein in a dose-dependent manner. MDA-MB-468 cells are treated with CGP78850 (0-100 uM) for 90 minutes. Cells are lysed and immunoprecipitated. Western blotting is used to detect the amount of EGFR- or Shc-associated Grb2 protein, quantifying the disruption of protein-protein interactions. |
| Animal Protocol |
CGP78850 is primarily used in cell-based assays. Standard in vivo protocols for related compounds involve intravenous or oral administration in nude mice bearing xenograft tumors, monitoring tumor volume and target modulation.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for CGP78850 are not available. As a small-molecule competitor of protein-protein interactions, its cellular activity (0-100 uM) suggests cell permeability.
|
| Toxicity/Toxicokinetics |
Toxicity data are not reported. In vitro studies used concentrations up to 100 uM, indicating a window for cellular activity without immediate acute toxicity in cell culture models.
|
| References |
[1]. Gay B, et al. Selective GRB2 SH2 inhibitors as anti-Ras therapy. Int J Cancer. 1999;83(2):235-241.
|
| Additional Infomation |
Grb2 SH2 domain inhibitors
This Grb2 SH2 antagonist is a research chemical tool for studying Ras signaling pathways and has no clinical approval. It has been cited in cancer research literature, including a study by Gay B, et al. (Int J Cancer, 1999). |
| Molecular Formula |
C36H46N5O9P
|
|---|---|
| Molecular Weight |
723.75
|
| Exact Mass |
723.303
|
| CAS # |
258326-83-9
|
| PubChem CID |
9940118
|
| Appearance |
White to off-white solid powder
|
| LogP |
1.2
|
| Hydrogen Bond Donor Count |
8
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
16
|
| Heavy Atom Count |
51
|
| Complexity |
1260
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
CC(=O)N[C@@H](CC1=CC=C(C=C1)CP(=O)(O)O)C(=O)NC2(CCCCC2)C(=O)N[C@@H](CC(=O)N)C(=O)NCCCC3=C(C=CC4=CC=CC=C43)O
|
| InChi Key |
DXUDLEHAROCUHM-KYJUHHDHSA-N
|
| InChi Code |
InChI=1S/C36H46N5O9P/c1-23(42)39-29(20-24-11-13-25(14-12-24)22-51(48,49)50)34(46)41-36(17-5-2-6-18-36)35(47)40-30(21-32(37)44)33(45)38-19-7-10-28-27-9-4-3-8-26(27)15-16-31(28)43/h3-4,8-9,11-16,29-30,43H,2,5-7,10,17-22H2,1H3,(H2,37,44)(H,38,45)(H,39,42)(H,40,47)(H,41,46)(H2,48,49,50)/t29-,30-/m0/s1
|
| Chemical Name |
[4-[(2S)-2-acetamido-3-[[1-[[(2S)-4-amino-1-[3-(2-hydroxynaphthalen-1-yl)propylamino]-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-3-oxopropyl]phenyl]methylphosphonic acid
|
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
|
|---|---|
| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3817 mL | 6.9085 mL | 13.8169 mL | |
| 5 mM | 0.2763 mL | 1.3817 mL | 2.7634 mL | |
| 10 mM | 0.1382 mL | 0.6908 mL | 1.3817 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.
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