Epertinib
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MedKoo CAT#: 327008

CAS#: 908305-13-5

Description: Epertinib, also known as S-22611, is an oral reversible dual tyrosine kinase inhibitor of EGFR and HER2, currently under trials in patients with solid tumours. S-222611 selectively inhibited kinases with IC50 s below 10 nmol/L. S-222611 also inhibited intracellular kinase activity and the growth of EGFR-expressing and HER2-expressing cancer cells. In addition, S-222611 showed potent antitumor activity over lapatinib in a variety of xenograft models.


Chemical Structure

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Epertinib
CAS# 908305-13-5

Theoretical Analysis

MedKoo Cat#: 327008
Name: Epertinib
CAS#: 908305-13-5
Chemical Formula: C30H27ClFN5O3
Exact Mass: 559.18
Molecular Weight: 560.026
Elemental Analysis: C, 64.34; H, 4.86; Cl, 6.33; F, 3.39; N, 12.51; O, 8.57

Price and Availability

Size Price Availability Quantity
5mg USD 375 2 weeks
10mg USD 650 2 weeks
50mg USD 2050 2 Weeks
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Synonym: Epertinib; S-22611; S22611; S 22611;

IUPAC/Chemical Name: (R,Z)-1-(4-((3-chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)quinazolin-6-yl)but-2-yn-1-one O-morpholin-3-ylmethyl oxime

InChi Key: IBCIAMOTBDGBJN-NRLRZRKLSA-N

InChi Code: InChI=1S/C30H27ClFN5O3/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)/b37-27+/t24-/m1/s1

SMILES Code: CC#C/C(C1=CC2=C(NC3=CC=C(OCC4=CC=CC(F)=C4)C(Cl)=C3)N=CN=C2C=C1)=N\OC[C@@H]5NCCOC5

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 560.03 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Tanaka Y, Hirata M, Shinonome S, Torii M, Nezasa KI, Tanaka H. 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. PMID: 29321587; PMCID: PMC5762859.


2: Macpherson IR, Spiliopoulou P, Rafii S, Saggese M, Baird RD, Garcia-Corbacho J, Italiano A, Bonneterre J, Campone M, Cresti N, Posner J, Takeda Y, Arimura A, Spicer J. A phase I/II study of epertinib plus trastuzumab with or without chemotherapy in patients with HER2-positive metastatic breast cancer. Breast Cancer Res. 2019 Dec 31;22(1):1. doi: 10.1186/s13058-019-1178-0. PMID: 31892325; PMCID: PMC6938617.


3: Arkenau HT, Italiano A, Mak G, Toulmonde M, Baird RD, Garcia-Corbacho J, Plummer R, Flynn M, Forster M, Wilson RH, Tosi D, Adenis A, Donaldson K, Posner J, Kawabata I, Arimura A, Deva S, Spicer J. An extended phase Ib study of epertinib, an orally active reversible dual EGFR/HER2 tyrosine kinase inhibitor, in patients with solid tumours. Eur J Cancer. 2018 Nov;103:17-23. doi: 10.1016/j.ejca.2018.07.134. Epub 2018 Sep 6. PMID: 30196106.


4: Mirmajidi SH, Irajie C, Savardashtaki A, Negahdaripour M, Nezafat N, Ghasemi Y. Identification of potential RapJ hits as sporulation pathway inducer candidates in Bacillus coagulans via structure-based virtual screening and molecular dynamics simulation studies. J Mol Model. 2023 Jul 18;29(8):256. doi: 10.1007/s00894-023-05664-8. Erratum in: J Mol Model. 2023 Sep 16;29(10):317. PMID: 37464224.