793726-84-8

Basic information

• Product Name: BIBU 1361 DIHYDROCHLORIDE
• Synonyms: N-(3-CHLORO-4-FLUOROPHENYL)-6-[4-[(DIETHYLAMINO)METHYL]-1-PIPERIDINYL]-PYRIMIDO[5,4-D]PYRIMIDIN-4-AMINE DIHYDROCHLORIDE;BIBU 1361 DIHYDROCHLORIDE;N-(3-Chloro-4-fluorophenyl)-6-[4-[(diethylamino)methyl]-1-piperidinyl]-pyrimido[5,4-d]pyrimidin-4-aminedihydrochloride;N-(3-Chloro-4-fluorophenyl)-6-[4-[(diethylamino)methyl]-1-piperidinyl]pyrimido[5,4-d]pyrimidin-4-amine;BIBU 1361
• CAS NO: 793726-84-8
• Molecular Formula: C22H29Cl3FN7
• Molecular Weight: 516.8699632
• Mol File: 793726-84-8.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 663.5°C at 760 mmHg
• Flash Point: 355.1°C
• Appearance: /
• Vapor Pressure: 7.65E-18mmHg at 25°C
• Storage Temp.: Desiccate at +4°C
• Solubility: DMSO (Slightly), Methanol (Very Slightly)
• CAS DataBase Reference: BIBU 1361 DIHYDROCHLORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: BIBU 1361 DIHYDROCHLORIDE(793726-84-8)
• EPA Substance Registry System: BIBU 1361 DIHYDROCHLORIDE(793726-84-8)

Safety Data

• Hazardous Substances Data: 793726-84-8(Hazardous Substances Data)

Usage

Description

BIBU 1361 DIHYDROCHLORIDE is a potent inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase, characterized by its high specificity and affinity with an IC50 value of 3 nM. BIBU 1361 DIHYDROCHLORIDE plays a significant role in blocking downstream EGFR signaling events, such as MAPKK/MAPK activation, making it a valuable asset in various applications across different industries.

Uses

Used in Pharmaceutical Industry:
BIBU 1361 DIHYDROCHLORIDE is used as a therapeutic agent for the treatment of cancer. Its ability to inhibit EGFR tyros kinase and block downstream signaling pathways makes it a promising candidate for targeting cancer cells and limiting their growth and proliferation.
Used in Research Applications:
In the field of scientific research, BIBU 1361 DIHYDROCHLORIDE serves as a valuable tool for studying the role of EGFR in cellular processes. Researchers utilize this compound to investigate the mechanisms of EGFR signaling and its implications in various diseases, including cancer.
Used in Drug Development:
BIBU 1361 DIHYDROCHLORIDE is employed as a lead compound in the development of new drugs targeting EGFR-related pathways. Its high potency and selectivity make it an ideal starting point for designing and optimizing novel therapeutic agents to treat cancer and other EGFR-associated diseases.

Biological Activity

Potent inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase (IC 50 = 3 nM). Displays ~ 100-fold lower potency against ErbB2 (IC 50 = 290 nM) and is selective over a range of other related tyrosine kinases (IC 50 > 10 μ M). Blocks downstream EGFR signaling events such as MAPKK/MAPK activation. Oral administration inhibits growth of established human xenografts in athymic mice.

references

[1]. antczak c, mahida jp, bhinder b, et al. a high-content biosensor-based screen identifies cell-permeable activators and inhibitors of egfr function implications in drug discovery. journal of biomolecular screening, 2012, 17(7): 885-899.[2]. ghildiyal r, dixit d, sen e. egfr inhibitor bibu induces apoptosis and defective autophagy in glioma cells. molecular carcinogenesis, 2013, 52(12): 970-982.

InChI:InChI=1/C22H27ClFN7.4ClH/c1-3-30(4-2)13-15-7-9-31(10-8-15)22-25-12-19-20(29-22)21(27-14-26-19)28-16-5-6-18(24)17(23)11-16;;;;/h5-6,11-12,14-15H,3-4,7-10,13H2,1-2H3,(H,26,27,28);4*1H