169120-70-1

Basic information

• Product Name: 2-cyano-N-(4-fluorobenzyl)acetamide
• Synonyms: 2-cyano-N-(4-fluorobenzyl)acetamide;2-cyano-N-[(4-fluorophenyl)methyl]acetamide;2-cyano-N-[(4-fluorophenyl)methyl]ethanamide;EU-0029350;IVK/8077432;Oprea1_203792
• CAS NO: 169120-70-1
• Molecular Formula: C₁₀H₉FN₂O
• Molecular Weight: 192.1896632
• Mol File: 169120-70-1.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 430.4±35.0 °C(Predicted)
• Appearance: /
• Density: 1.210±0.06 g/cm3(Predicted)
• PKA: 5.36±0.10(Predicted)
• CAS DataBase Reference: 2-cyano-N-(4-fluorobenzyl)acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-cyano-N-(4-fluorobenzyl)acetamide(169120-70-1)
• EPA Substance Registry System: 2-cyano-N-(4-fluorobenzyl)acetamide(169120-70-1)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 169120-70-1(Hazardous Substances Data)

Upstream product

• 36140-83-7 1-cyanoacetyl-3,5-dimethylpyrazole 
• 140-75-0 para-fluorobenzylamine 
• 105-34-0 methyl 2-cyanoacetate 

Downstream Products

• 1202194-20-4 C₁₅H₁₇FN₂OS 
• 1373889-58-7 6-amino-N-(4-fluorobenzyl)-[1,3]dioxolo[4,5-g]quinoline-7-carboxamide 
• 1373889-85-0 C₁₉H₁₂FN₃O₃ 
• 1261167-38-7 C₁₇H₁₃F₄N₃O 

Relevant articles and documents

Non-alkylator anti-glioblastoma agents induced cell cycle G2/M arrest and apoptosis: Design, in silico physicochemical and SAR studies of 2-aminoquinoline-3-carboxamides

Malignant gliomas are the most common brain tumors, with generally dismal prognosis, early clinical deterioration and high mortality. Recently, 2-aminoquinoline scaffold derivatives have shown pronounced activity in central nervous system disorders. We herein reported a series of 2-aminoquinoline-3-carboxamides as novel non-alkylator anti-glioblastoma agents. The synthesized compounds showed comparable activity to cisplatin against glioblastoma cell line U87 MG in vitro. Among them, we found that 6a displayed good inhibitory activity against A172 and U118 MG glioblastoma cell lines and induced cell cycle arrest in the G2/M phase and apoptosis in U87 MG by flow cytometry analysis. Additionally, 6a displayed low cytotoxicity to several normal human cell lines. In silico study showed 6a had promising physicochemical properties and was predicted to cross the blood–brain barrier. Moreover, preliminary structure–activity relationships are also investigated, shedding light on further modifications towards more potent agents on this series of compounds. Our results suggest this compound has a promising potential as an anti-glioblastoma agent with a differential effect between tumor and non-malignant cells.

Synthesis, cytotoxic characterization, and SAR study of imidazo[1,2-b]pyrazole-7-carboxamides

The synthesis and in vitro cytotoxic characteristics of new imidazo[1,2-b]pyrazole-7-carboxamides were investigated. Following a hit-to-lead optimization exploiting 2D and 3D cultures of MCF-7 human breast, 4T1 mammary gland, and HL-60 human promyelocytic leukemia cancer cell lines, a 67-membered library was constructed and the structure–activity relationship (SAR) was determined. Seven synthesized analogues exhibited sub-micromolar activities, from which compound 63 exerted the most significant potency with a remarkable HL-60 sensitivity (IC50 = 0.183 μM).

Modulators of LXR

Compounds, compositions and methods for modulating the activity of nuclear receptors are provided. In particular, heterocyclic compounds are provided for modulating the activity of nuclear receptors, including liver X receptor (LXR) and orphan nuclear receptors. In certain embodiments, the compounds are N-substituted pyridones.