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Epertinib hydrochloride, the salt form of Epertinib (S22611), is an orally bioavailable and reversible dual EGFR and HER2 inhibitor with antitumor activities.
| ln Vitro |
In NCI-N87 cells, ipatinib hydrochloride suppresses EGFR and HER2 phosphorylation with IC50 values of 4.5 and 1.6 nM, respectively [2]. With an IC50 of 26.5 nM, ipatinib hydrochloride has inhibitory effect on MDA-MB-361 cells[1]. EGFR and/or HER2-expressing cancer cell lines can be specifically inhibited from proliferating when exposed to ipatinib hydrochloride (0–10 μM) for 72 hours [2].
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| ln Vivo |
Ipetinib hydrochloride exhibits anti-tumor effect when taken orally once daily for 28 days at a dose of 0–100 mg/kg [1]. A brain tumor's growth can be considerably decreased by taking 50 mg/kg of imipetinib hydrochloride orally once a day for 30 days [1]. Oral administration of petinib hydrochloride (0-50 mg/kg) once day for 10–28 days substantially and dose-dependently suppresses the development of tumors [2].
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| Cell Assay |
Cell proliferation assay[2]
Cell Types: NCI-N87 (gastric), BT-474 (breast), SK-BR-3 (breast), MDA-MB-453 (breast), MDA-MB-175VII (breast), HT115 (colon), Calu-3 (lung), fR2 (breast) and MRC-5 (lung) Tested Concentrations: 0-10 μM Incubation Duration: 72 hrs (hours) Experimental Results: Inhibition of growth of NCI-N87, BT-474, SK-BR -3. MDA-MB-453, MDA-MB-175VII, HT115, Calu-3, fR2 and MRC-5, IC50 values are 8.3 ± 2.6, 9.9 ± 0.8, 14.0 ± 3.6, 48.6 ± 3.1, 21.6±4.3, 53.3±8.6, 241.5±29.2, 5366.7±65.2 and 4964.6±340.3. |
| Animal Protocol |
Animal/Disease Models: Nude mice (BALB/cAJcl-nu/nu, intracranial implantation of MDA-MB-361 or BR2 cells) [1]
Doses: 12.5, 25, 50, 100 mg/kg Route of Administration: Orally, one time/day , lasted 28 days. Experimental Results: demonstrated antitumor activity in a mammary fat pad implantation model using both cell lines with comparable ED50 values (24.1 mg/kg for MDA-MB-361 and 26.5 mg/kg for BR2 (MDA- MB-361-luc-BR2) ), respectively). Animal/Disease Models: Nude mice (BALB/cAJcl-nu/nu, intracranial implantation of MDA-MB-361 or BR2 cells) [1] Doses: 50 mg/kg Route of Administration: Orally, one time/day for 30 days Experimental Results: The brain Dramatically diminished tumor volume, indicating that erpotinib can have potent anti-tumor activity in brain metastases even in the presence of an intact BTB (blood-tumor barrier). Animal/Disease Models: Nude mice (BALB/cAJcl-nu/nu, prepared by subcutaneously (sc) (sc) implanting human gastric cancer cell NCI-N87 cells on the back of nude mice) [2] Doses: 0, 6.25, 12.5, 25, 50 mg/kg Route of Administration: po (oral gavage), daily |
| References |
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| Molecular Formula |
C30H28CL2FN5O3
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|---|---|
| Molecular Weight |
596.479428291321
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| Exact Mass |
595.155
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| CAS # |
2071195-74-7
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| Related CAS # |
Epertinib;908305-13-5
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| PubChem CID |
139290994
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| Appearance |
Light yellow to yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
10
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| Heavy Atom Count |
41
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| Complexity |
899
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| Defined Atom Stereocenter Count |
1
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| SMILES |
ClC1=C(C=CC(=C1)NC1=C2C(C=CC(=C2)/C(/C#CC)=N/OC[C@H]2COCCN2)=NC=N1)OCC1C=CC=C(C=1)F.Cl
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| InChi Key |
NVWJPQQXBPWOOA-PLXRJBJVSA-N
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| InChi Code |
InChI=1S/C30H27ClFN5O3.ClH/c1-2-4-27(37-40-18-24-17-38-12-11-33-24)21-7-9-28-25(14-21)30(35-19-34-28)36-23-8-10-29(26(31)15-23)39-16-20-5-3-6-22(32)13-20;/h3,5-10,13-15,19,24,33H,11-12,16-18H2,1H3,(H,34,35,36);1H/b37-27+;/t24-;/m1./s1
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| Chemical Name |
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-[(Z)-N-[[(3R)-morpholin-3-yl]methoxy]-C-prop-1-ynylcarbonimidoyl]quinazolin-4-amine;hydrochloride
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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 Note: Please store this product in a sealed and protected environment, 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)
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| Solubility (In Vitro) |
DMSO : ~125 mg/mL (~209.56 mM)
H2O : ~33.33 mg/mL (~55.88 mM) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (3.49 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 20.8 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: ≥ 2.08 mg/mL (3.49 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 20.8 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 | 1.6765 mL | 8.3825 mL | 16.7650 mL | |
| 5 mM | 0.3353 mL | 1.6765 mL | 3.3530 mL | |
| 10 mM | 0.1677 mL | 0.8383 mL | 1.6765 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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