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Chemical Structure| 1042385-75-0 Chemical Structure| 1042385-75-0

Structure of Dacomitinib hydrate
CAS No.: 1042385-75-0

Chemical Structure| 1042385-75-0

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Dacomitinib hydrate is an oral, irreversible pan-ErbB inhibitor, primarily used in the study of non-small cell lung cancer (NSCLC) and other cancers.

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Product Details of Dacomitinib hydrate

CAS No. :1042385-75-0
Formula : C24H27ClFN5O3
M.W : 487.95
SMILES Code : O=C(NC1=CC2=C(NC3=CC=C(F)C(Cl)=C3)N=CN=C2C=C1OC)/C=C/CN4CCCCC4.[H]O[H]
MDL No. :MFCD19443734
InChI Key :BSPLGGCPNTZPIH-IPZCTEOASA-N
Pubchem ID :70693519

Safety of Dacomitinib hydrate

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Isoform Comparison

Biological Activity

In Vitro:

Cell Line
Concentration Treated Time Description References
22RV1 cells 2 µM 72 h To evaluate the response of 22Rv1 cells to lapatinib and dacomitinib. Results showed that dacomitinib significantly reduced cell viability and induced apoptosis, whereas lapatinib had minimal effect. Br J Cancer. 2019 Jul;121(3):237-248
C4-2 cells 2 µM 72 h To study the viability of C4-2 cells under androgen deprivation and their response to lapatinib. Results indicated no response to androgen deprivation or 2 µM lapatinib, demonstrating acquired resistance to lapatinib. Br J Cancer. 2019 Jul;121(3):237-248
LNCaP cells 2 µM 72 h To investigate the viability of LNCaP cells under androgen deprivation and their response to lapatinib. Results showed decreased viability in CSS medium but no significant response to 2 µM lapatinib. Br J Cancer. 2019 Jul;121(3):237-248
452.Luc2 6.25-400 nM 30 min Dacomitinib effectively inhibited full-length EGFR phosphorylation and significantly reduced AKT and ERK1/2 phosphorylation Neoplasia. 2018 May;20(5):432-442
Daoy.Luc2 6.25-400 nM 30 min Dacomitinib effectively inhibited full-length EGFR phosphorylation and significantly reduced AKT and ERK1/2 phosphorylation Neoplasia. 2018 May;20(5):432-442
U87vIII.Luc2 0.4-4 μM 30 min Dacomitinib significantly reduced EGFRvIII phosphorylation (Y1173) and inhibited downstream AKT and ERK1/2 phosphorylation Neoplasia. 2018 May;20(5):432-442
U87.Luc2 0.4-4 μM 30 min Dacomitinib significantly reduced EGFRvIII phosphorylation (Y1173) and inhibited downstream AKT and ERK1/2 phosphorylation Neoplasia. 2018 May;20(5):432-442
SBA-16 (Y803H) 2.5nM 72 h To test the sensitivity of ERBB2 inhibitor on ERBB2 mutant cell lines, results showed dacomitinib significantly inhibited cell proliferation Clin Cancer Res. 2019 Jan 15;25(2):641-651
SBA-6 (V842I) 1nM 72 h To test the sensitivity of ERBB2 inhibitor on ERBB2 mutant cell lines, results showed dacomitinib significantly inhibited cell proliferation Clin Cancer Res. 2019 Jan 15;25(2):641-651
HCC4006 cells 1 nM to 100 nM 144 h Assessed dacomitinib sensitivity in EGFR extracellular domain variants, showing sensitivity in some variants. Nat Commun. 2024 Mar 28;15(1):2742
HCC827 cells 1 nM to 100 nM 144 h Assessed dacomitinib sensitivity in EGFR extracellular domain variants, showing sensitivity in some variants. Nat Commun. 2024 Mar 28;15(1):2742
PC9 cells 1 nM to 100 nM 144 h Assessed dacomitinib sensitivity in EGFR extracellular domain variants, showing sensitivity in some variants. Nat Commun. 2024 Mar 28;15(1):2742

In Vivo:

Species
Animal Model
Administration Dosage Frequency Description References
Nude mice U87vIII.Luc2 glioblastoma xenograft model Oral gavage 30 mg/kg Thrice weekly Dacomitinib significantly inhibited the growth of U87vIII.Luc2 glioblastoma and extended the survival time of mice Neoplasia. 2018 May;20(5):432-442
NOD/SCID mice UM-UC-6 and UM-UC-9 xenograft models Oral 6 mg/kg Once daily for 3-4 weeks Evaluate the antitumor activity of Dacomitinib in vivo in bladder cancer xenograft models, showing significant inhibition of tumor growth. Mol Med. 2013 Nov 8;19(1):367-76
Nude mice PDX6 (ERBB2 V842I mutant) and PDX16 (ERBB2 Y803H mutant) Oral 10mg/kg/day Once daily for 3 weeks To test the in vivo inhibitory effect of dacomitinib on ERBB2 mutant tumors, results showed dacomitinib significantly inhibited tumor growth Clin Cancer Res. 2019 Jan 15;25(2):641-651

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.05mL

0.41mL

0.20mL

10.25mL

2.05mL

1.02mL

20.49mL

4.10mL

2.05mL

 

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