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| 10mg |
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| Other Sizes |
| Targets |
EGFR (WT) 7 nM (IC50) EGFRL858R/T790M 28 nM (IC50)
EGFR-IN-9 targets the epidermal growth factor receptor (EGFR), inhibiting both the wild-type and the double mutant EGFR kinase (L858R/T790M). By binding to the kinase domain of EGFR, it blocks its enzymatic activity, thereby inhibiting downstream signaling pathways that promote tumor cell proliferation, survival, and metastasis. Its activity against the L858R/T790M mutant makes it relevant for studying resistance to earlier-generation TKIs. |
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| ln Vitro |
EGFR-IN-9 (Compound 8) exhibits antiproliferative action against the HCC827 lung cancer cell line, with an IC50 of 8 nM.
In vitro, EGFR-IN-9 has been shown to be a potent inhibitor of EGFR kinase activity. Its IC50 values are 7 nM for wild-type EGFR and 28 nM for the L858R/T790M double mutant. This activity is typically assessed using biochemical kinase assays. The compound's ability to inhibit both wild-type and mutant EGFR makes it a valuable tool for studying EGFR signaling and resistance mechanisms. |
| ln Vivo |
In vivo, EGFR-IN-9 has demonstrated antitumor activity. While specific in vivo study details are limited, its activity is evaluated in xenograft models of cancers driven by EGFR mutations, including those harboring the L858R/T790M double mutant. The compound's ability to inhibit tumor growth in these models confirms its therapeutic potential.
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| Enzyme Assay |
Cell-free assays for EGFR-IN-9 typically involve measuring its inhibitory activity against EGFR kinases using biochemical kinase assays. The IC50 values of 7 nM and 28 nM for wild-type EGFR and the L858R/T790M mutant, respectively, are determined by measuring the phosphorylation of a peptide substrate in the presence of varying concentrations of the inhibitor. These assays are used to characterize the compound's potency and selectivity.
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| Cell Assay |
In vitro cellular assays are conducted to evaluate the functional activity of EGFR-IN-9. Cancer cell lines harboring EGFR mutations, such as the L858R/T790M double mutant, are treated with the compound. Cell viability and proliferation are measured to assess the compound's anti-proliferative effects. EGFR phosphorylation is also measured to confirm inhibition of the target kinase, confirming its ability to block EGFR-driven cell growth.
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| Animal Protocol |
In vivo animal experiments typically involve xenograft models of EGFR-driven cancers. Mice bearing tumors with EGFR mutations are administered EGFR-IN-9. Tumor growth is monitored over time to assess the compound's efficacy in inhibiting tumor progression. These studies are crucial for demonstrating the in vivo antitumor activity of the compound.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of EGFR-IN-9 are typical of a small molecule inhibitor. Its molecular weight is 476.53. It has a predicted boiling point of 719.0±60.0°C and a density of 1.312±0.06 g/cm3. While detailed PK parameters are not widely published, its properties suggest it is designed to have favorable drug-like characteristics.
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| Toxicity/Toxicokinetics |
The toxicity profile of EGFR-IN-9 is not extensively documented but is likely to be similar to other EGFR inhibitors. Common adverse effects associated with EGFR TKIs include diarrhea, skin rash, and fatigue. Preclinical studies would typically involve acute and chronic dosing in animal models to assess safety margins and identify potential target organ toxicities.
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| References | |
| Additional Infomation |
EGFR-IN-9 is a research compound with potent EGFR inhibitory activity against both wild-type and L858R/T790M double mutant EGFR. It has demonstrated antitumor activity in preclinical studies. The compound is used for research purposes to study EGFR biology and the development of targeted cancer therapies. It is not approved for therapeutic use.
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| Molecular Formula |
C29H24N4O3
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|---|---|
| Molecular Weight |
476.53
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| Exact Mass |
476.184
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| CAS # |
1226549-39-8
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| PubChem CID |
46212970
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
5.2
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
36
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| Complexity |
723
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| Defined Atom Stereocenter Count |
1
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| SMILES |
N1C(N[C@@H](C2C=CC=CC=2)CO)=C2C(C3C=CC=C(NC(=O)C=C)C=3)=C(C3C=CC=CC=3)OC2=NC=1
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| InChi Key |
GFTOODFOXIDLNF-HSZRJFAPSA-N
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| InChi Code |
InChI=1S/C29H24N4O3/c1-2-24(35)32-22-15-9-14-21(16-22)25-26-28(33-23(17-34)19-10-5-3-6-11-19)30-18-31-29(26)36-27(25)20-12-7-4-8-13-20/h2-16,18,23,34H,1,17H2,(H,32,35)(H,30,31,33)/t23-/m1/s1
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| Chemical Name |
N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO: 100 mg/mL (209.85 mM)
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| 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 | 2.0985 mL | 10.4925 mL | 20.9850 mL | |
| 5 mM | 0.4197 mL | 2.0985 mL | 4.1970 mL | |
| 10 mM | 0.2099 mL | 1.0493 mL | 2.0985 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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