94320-00-0

Basic information

• Product Name: N-(2-aminoethyl)-4-fluorobenzamide
• Synonyms: N-(2-aminoethyl)-4-fluorobenzamide;OTAVA-BB 1137849;UKRORGSYN-BB BBV-021974;N-(2-aminoethyl)-4-fluorobenzamide(SALTDATA: FREE)
• CAS NO: 94320-00-0
• Molecular Formula: C9H11FN2O
• Molecular Weight: 182.19
• Mol File: 94320-00-0.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 347.5°C at 760 mmHg
• Flash Point: 164°C
• Appearance: /
• Density: 1.181g/cm³
• Vapor Pressure: 5.36E-05mmHg at 25°C
• Refractive Index: 1.535
• PKA: 14.24±0.46(Predicted)
• CAS DataBase Reference: N-(2-aminoethyl)-4-fluorobenzamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(2-aminoethyl)-4-fluorobenzamide(94320-00-0)
• EPA Substance Registry System: N-(2-aminoethyl)-4-fluorobenzamide(94320-00-0)

Safety Data

• Hazardous Substances Data: 94320-00-0(Hazardous Substances Data)

Usage

InChI:InChI=1/C9H11FN2O/c10-8-3-1-7(2-4-8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)

Upstream product

• 456-22-4 4-Fluorobenzoic acid 
• 333-18-6 1,2-diaminoethane dihydrochloride 
• 107-15-3 ethylenediamine 
• 403-33-8 methyl 4-flurobenzoate 

Relevant articles and documents

Design and synthesis of novel pyrrolo[2,3-b]pyridine derivatives targeting V600EBRAF

Several pyrrolo[2,3-b]pyridine-based B-RAF inhibitors are well known and some of them are currently FDA approved as anticancer agents. Based on the structure of these FDA approved V600EB-RAF inhibitors, two series of pyrrolo[2,3-b]pyridine scaffold were designed and synthesized in attempt to develop new potent V600EB-RAF inhibitors. The 38 synthesized compounds were biologically evaluated for their V600EB-RAF inhibitory effect at single dose (10 μM). Compounds with high percent inhibition were tested to determine their IC50 over V600EB-RAF. Compounds 34e and 35 showed the highest inhibitory effect with IC50 values of 0.085 μM and 0.080 μM, respectively. Headed for excessive biological evaluation, the synthesized derivatives were tested over sixty diverse human cancer cell lines. Only compound 35 emerged as a potent cytotoxic agent against different panel of human cancer cell lines.

Expanding the structural diversity of Bcr-Abl inhibitors: Hybrid molecules based on GNF-2 and Imatinib

In order to expand the structural diversity of Bcr-Abl inhibitors, twenty hybrids (series E and P) have been synthesized and characterized based on Imatinib and GNF-2. Their biological activities were evaluated in vitro against human leukemia cells. Most compounds exhibited potent antiproliferative activity against K562 cells, especially for compounds E4, E5 and E7. Furthermore, these new hybrids were also screened for Abl kinase inhibitory activity, and some of them inhibited Abl kinase with low micromolar IC50 values. In particular, compound P3 displayed the most potent activity with IC50 value of 0.017 μM comparable with that of Imatinib. Molecular docking studies indicated that these novel hybrids fitted well with the active site of Bcr-Abl. These results suggested the great potential of these compounds as novel Bcr-Abl inhibitors.