Synonym
Epertinib hydrochloride; Epertinib HCl; S-22611; S22611; S 22611; NSC804521; NSC 804521 NSC-804521;
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 hydrochloride
InChi Key
NVWJPQQXBPWOOA-PLXRJBJVSA-N
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
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.Cl
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
>3 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
Preparing Stock Solutions
The following data is based on the
product
molecular weight
596.48
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.
| 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 |
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.
