S-22611,Epertinib
S-22611,Epertinib Basic information
- Product Name:
- S-22611,Epertinib
- Synonyms:
-
- S-22611,Epertinib
- Epertinib
- Epertinib (S-222611
- S222611)
- (S,Z)-1-(4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)quinazolin-6-yl)but-2-yn-1-one O-morpholin-3-ylmethyl oxime
- 2-Butyn-1-one, 1-[4-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]amino]-6-quinazolinyl]-, O-[(3R)-3-morpholinylmethyl]oxime, (1Z)-
- CAS:
- 908305-13-5
- MF:
- C30H27ClFN5O3
- MW:
- 560.02
- Mol File:
- 908305-13-5.mol
S-22611,Epertinib Chemical Properties
- Boiling point:
- 701.5±70.0 °C(Predicted)
- Density
- 1.31±0.1 g/cm3(Predicted)
- storage temp.
- 4°C, protect from light
- solubility
- Soluble in DMSO
- form
- Solid
- pka
- 8.20±0.40(Predicted)
- color
- Light yellow to yellow
- InChIKey
- IBCIAMOTBDGBJN-NRLRZRKLSA-N
- SMILES
- C(=N/OC[C@H]1COCCN1)(\C1C=CC2C(C=1)=C(NC1=CC=C(OCC3=CC=CC(F)=C3)C(Cl)=C1)N=CN=2)/C#CC
S-22611,Epertinib Usage And Synthesis
Uses
Epertinib (S-22611) is a potent, orally active, reversible, and selective tyrosine kinase inhibitor of EGFR, HER4 and HER2, with IC50s of 1.48 nM, 2.49 nM and 7.15 nM, respectively. Epertinib shows potent antitumor activity[1][2]. Epertinib is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.
in vivo
Epertinib (0-100 mg/kg, Orally, once daily for 28 days) shows antitumor activity[1].
Epertinib (50 mg/kg, Orally, once daily for 30 days) significantly reduces the brain tumor volume[1].
Epertinib (0-50 mg/kg, Orally, once daily for 10-28 days) significantly inhibits the tumor growth in a dose-dependent manner[2].
| Animal Model: | Nude mice (BALB/cAJcl-nu/nu, implanted intracranially with MDA-MB-361 or BR2 cells)[1] |
| Dosage: | 12.5, 25, 50, 100 ?mg/kg |
| Administration: | Orally, once daily for 28 days |
| Result: | Showed antitumor activity in the mammary fat pad implantation model using both cell lines and the ED50 values were comparable (24.1?mg/kg and 26.5?mg/kg for MDA-MB-361 and BR2 (MDA-MB-361-luc-BR2), respectively). |
| Animal Model: | Nude mice (BALB/cAJcl-nu/nu, implanted intracranially with MDA-MB-361 or BR2 cells)[1] |
| Dosage: | 50 mg/kg |
| Administration: | Orally, once daily for 30 days |
| Result: | Significantly reduced the brain tumor volume, indicating that epertinib could have potent antitumor activity in brain metastasis even in the presence of an intact BTB (blood-tumor barrier). |
| Animal Model: | Nude mice (BALB/cAJcl-nu/nu, prepared by subcutaneous implantation of human gastric cancer cells, NCI-N87 into the back of nude mice)[2] |
| Dosage: | 0, 6.25, 12.5, 25, and 50 mg/kg |
| Administration: | Oral gavage, daily for 10-28 days |
| Result: | Significantly inhibited the tumor growth in a dose-dependent manner. |
IC 50
EGFR: 1.48 ± 0.0 nM (IC50); HER4: 2.49 ± 0.1 nM (IC50); HER2: 7.15 ± 0.5 nM (IC50)
References
[1] Tanaka Y, et al. Distribution analysis of epertinib in brain metastasis of HER2-positive breast cancer by imaging mass spectrometry and prospect for antitumor activity. Sci Rep. 2018 Jan 10;8(1):343. DOI:10.1038/s41598-017-18702-2
[2] Tanaka H, et al. Preclinical antitumor activity of S-222611, an oral reversible tyrosine kinase inhibitor of epidermal growth factor receptor and human epidermal growth factor receptor 2. Cancer Sci. 2014 Aug;105(8):1040-8. DOI:10.1111/cas.12449
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