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S-22611,Epertinib

Product Name
S-22611,Epertinib
CAS No.
908305-13-5
Chemical Name
S-22611,Epertinib
Synonyms
S222611);Epertinib;S-22611,Epertinib;Epertinib (S-222611;(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)-
CBNumber
CB83364620
Molecular Formula
C30H27ClFN5O3
Formula Weight
560.02
MOL File
908305-13-5.mol
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S-22611,Epertinib Property

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
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Hazard and Precautionary Statements (GHS)

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N-Bromosuccinimide Price

ChemScene
Product number
CS-0028218
Product name
Epertinib
Purity
>98.0%
Packaging
1mg
Price
$220
Updated
2021/12/16
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S-22611,Epertinib Chemical Properties,Usage,Production

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 (24.1mg/kg and 26.5mg/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

S-22611,Epertinib Preparation Products And Raw materials

Raw materials

Preparation Products

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S-22611,Epertinib Suppliers

China 24 United States 3 Global 27
Kaixin Chemical (Hong Kong) Limited
Tel
010-88886666-01 13112345678
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CDXH21@126.com
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loyson@tcypharm.com
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China
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597
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ShangHai Caerulum Pharma Discovery Co., Ltd.
Tel
18149758185 18149758185;
Email
sales-cpd@caerulumpharma.com
Country
China
ProdList
3505
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58
Shanghai YuanQi Biotechnology Co., Ltd.
Tel
+86-2332782371 +86-18120098618
Email
sales@adobechem.com
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China
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1250
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50
ShangHai Biochempartner Co.,Ltd
Tel
177-54423994 17754423994
Fax
QQ:2853530913
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2853530910@QQ.com
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China
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8000
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Shanghai Chaolan Chemical Technology Center
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021-QQ：65489617 15618227136
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21-5161 9052
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Sales@ATKchemical.com
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China
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9543
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Twochem Co.Ltd.
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021-58111628 15800915896
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QQ 3285589261
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sales@twochem.com
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China
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Jinan Kabotang Biological Technology Co.,Ltd.
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0531-61320525 15866703830
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figo.gao@foxmail.com
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China
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Fan De(Beijing) Biotechnology Co., Ltd.
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15911056312
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liming@bio-fount.com
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China
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9729
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Tianjin Kaifu Pharmaceutical Technology Co., Ltd.
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18081075745
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chemflowtech@sina.com
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China
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Nanjing Meihao Pharmaceutical Technology Co., Ltd.
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meitaochem@126.com
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meitaochem@126.com
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China
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19103
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58

908305-13-5, S-22611,EpertinibRelated Search:


  • 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)-
  • 908305-13-5
  • C30H27ClFN5O3