Description
Key facts
CAS number:149092-50-2,
Purity:>96%,
Form:SolidSee storage information,
Molecular weight:397.5 Da,
Molecular formula:C19H15N3O3S2,
PubChem:6091659,
Nature:Synthetic,
Solubility:Soluble in DMSO to 100 mM,
Biochemical name:Tyrphostin AG 825,
Biological description:Selective ErbB2 inhibitor (IC50 values are 0.15 and 19 μM at ErbB2 and ErbB1, respectively). Suppresses IL-6 induced STAT3 activation. Shows antiproliferative effects. Shows antitumor effects in vivo.,
Canonical smiles:COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)C=C(C#N)C(=O)N,
Isomeric smiles:COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)/C=C(\C#N)/C(=O)N,
InChi:InChI=1S/C19H15N3O3S2/c1-25-15-8-11(6-12(9-20)18(21)24)7-13(17(15)23)10-26-19-22-14-4-2-3-5-16(14)27-19/h2-8,23H,10H2,1H3,(H2,21,24)/b12-6+,
InChiKey:KXDONFLNGBQLTN-WUXMJOGZSA-N,
IUPAC Name:(E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-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.
The proteins JAK2 ErbB2 (also known as HER2) EGFR Cytochrome P450 3A4/CYP3A4 TDP1 CYP2D6 Cytochrome P450 2C8 2C9 2C19 and 2C12 as well as 15-PGDH each play distinct roles in cellular mechanisms. JAK2 with a mass of approximately 140 kDa functions as a non-receptor tyrosine kinase involved in cytokine receptor signaling and is expressed in various tissues including hematopoietic cells. ErbB2 or HER2 is a member of the ErbB family of receptor tyrosine kinases and is overexpressed in certain cancer cells. EGFR or epidermal growth factor receptor mediates cell growth and survival commonly localized to epithelial tissues. Cytochrome P450 enzymes like CYP3A4 and CYP2D6 are important for drug metabolism and are expressed in the liver. TDP1 is essential in repairing DNA damage. Finally 15-PGDH degrades prostaglandins participating in various bodily inflammation responses.
Biological function summary
Each of these proteins influences essential processes in the body. JAK2 participates in signal transduction for proliferation and differentiation via the JAK-STAT pathway. HER2 forms heterodimers with other ErbB family members facilitating cell signaling important for growth and differentiation. EGFR and HER2 create signal transduction complexes for similar functional roles in cellular proliferation. Within the liver CYP3A4 CYP2D6 and associated cytochrome P450 enzymes catalyze the oxidation of organic substances impacting drug pharmacokinetics. TDP1 operates in DNA single-strand break repair while 15-PGDH present in various tissues regulates prostaglandin levels and affects inflammation.
Pathways
ErbB2 and EGFR are central to the PI3K/AKT and RAS/RAF/MEK/ERK pathways both important for controlling cell division and survival. JAK2 is integral to the JAK-STAT pathway which impacts immune response and hematopoiesis. Cytochrome P450 enzymes like CYP3A4 and CYP2D6 are involved in the metabolic pathway impacting drug clearance and activation. These enzymes have interactions with diverse substrates affecting pathways related to hormone metabolism.
JAK2 mutations connect to myeloproliferative disorders such as polycythemia vera. Mutations or overexpression of HER2 are linked to breast cancer where HER2 inhibitors play a therapeutic role. EGFR mutations associate with non-small cell lung cancer influencing treatment approaches. In the context of liver functions variations in CYP3A4 and CYP2D6 can affect drug metabolism rates impacting efficacy and safety of medications. TDP1 mutations relate to neurological disorders such as spinocerebellar ataxia with axonal neuropathy. Each protein’s role in disease reflects its biological significance and potential therapeutic importance.
