Description
Key facts
CAS number:850140-72-6,
Purity:>98%,
Form:PowderSee storage information,
Molecular weight:485.9 Da,
Molecular formula:C24H25ClFN5O3,
PubChem:10184653,
Nature:Synthetic,
Solubility:Soluble in ethanol to 25 mMSoluble in DMSO to 100 mM,
Biochemical name:Afatinib,
Biological description:Potent, irreversible Her2/ErbB 2 and EGFR kinase inhibitor (IC50 values are 0.5, 0.4, 10 and 14 nM for EGFR(wt), EGFR(L858R), EGFR(L858R/T790M) and HER2 respectively). Shows antitumor effects in vivo. Orally active.,
Canonical smiles:CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4,
Isomeric smiles:CN(C)C/C=C/C(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4,
InChi:InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1,
InChiKey:ULXXDDBFHOBEHA-CWDCEQMOSA-N,
IUPAC Name:(E)-N-[4-(3-chloro-4-fluoroanilino)-7-[(3S)-oxolan-3-yl]oxyquinazolin-6-yl]-4-(dimethylamino)but-2-enamide
Properties and Storage Information:
Shipped at conditions-Ambient - Can Ship with Ice, Appropriate short-term storage conditions--20°C, Appropriate long-term storage conditions--20°C, Storage information-Store under desiccating conditions, The product can be stored for up to 12 months
Supplementary Information:
This supplementary information is collated from multiple sources and compiled automatically.
IRAK-1 p38 BLK FRK MK2 ErbB3/HER3 ErbB2/HER2 EGFR Lck ErbB4/HER4 ABL1 CK1 epsilon Eph receptor A6 DYRK1A Flt3/CD135 MEK5 GAK PHKG2 MNK1 DYRK2 PHKG1 MNK2 and HIPK4 are proteins with diverse roles in cellular processes. These proteins often referred by alternate names such as EGFR (HER1) and ErbB2 (HER2) vary in molecular weight and structure. For instance afatinib is a molecule targeting EGFR with precise mass properties. Expression of these proteins is observed in various tissues and cell types reflecting their significance in cellular function.
Biological function summary
Many of these proteins like EGFR and HER2 function as part of larger receptor complexes involved in signal transduction. They play important roles in cell proliferation differentiation and survival. For example HER2 is an important member of the ErbB family receptor complex contributing to signal amplification. Proteins like MK2 interact with p38 to mediate cellular responses to external stress factors. Expression patterns of these proteins affect cellular behavior significantly.
Pathways
These proteins partake in important signaling pathways such as the MAPK/ERK and PI3K/AKT pathways. EGFR and HER2 signal through these pathways influencing cell growth and survival. Their interactions with other proteins like PI3K allow for cross-talk between signaling pathways. These pathways are essential for cellular response to growth factors and stress signals thereby modulating cell fate decisions.
Aberrant function or expression of these proteins often relates to cancer and inflammatory diseases. Overexpression of EGFR and HER2 is commonly associated with breast and lung cancer as they drive uncontrolled cell proliferation. ABL1 is linked to chronic myeloid leukemia through its fusion with the BCR protein. Therapeutic agents like afatinib and its analogs target these proteins to manage and treat such diseases by inhibiting their activity and altering disease progression.
