2339-59-5

Basic information

• Product Name: 4-FLUORO-BENZAMIDINE HCL H2O
• Synonyms: 4-FLUOROBENZAMIDINE, HYDROCHLORIDE, MONOHYDRATE;4-FLUORO-BENZAMIDINE HCL H2O;4-Fluorobenzamidine hydrochloride;4-fluorobenzenecarboximidamide(SALTDATA: 1HCl 0.07NH4Cl);4-fluorobenzenecarboximidamide 1HCl 0.07NH4Cl;4-fluorobenzene-1-carboxiMidaMide;4-Fluorophenylformamidine hydrochloride;Benzenecarboximidamide, 4-fluoro-
• CAS NO: 2339-59-5
• Molecular Formula: C₇H₇FN₂
• Molecular Weight: 192.62
• Product Categories: Aromatics Compounds;Aromatics
• Mol File: 2339-59-5.mol
• Article Data: 20

Chemical Properties

• Melting Point: 97-100°C
• Boiling Point: 203.5 °C at 760 mmHg
• Flash Point: 76.9 °C
• Appearance: /
• Density: 1.22 g/cm³
• Storage Temp.: -20?C Freezer
• Solubility: Methanol
• PKA: 11.77±0.50(Predicted)
• CAS DataBase Reference: 4-FLUORO-BENZAMIDINE HCL H2O(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUORO-BENZAMIDINE HCL H2O(2339-59-5)
• EPA Substance Registry System: 4-FLUORO-BENZAMIDINE HCL H2O(2339-59-5)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 2339-59-5(Hazardous Substances Data)

Usage

Description

4-FLUORO-BENZAMIDINE HCL H2O, also known as 4-Fluorobenzamidine, Hydrochloride, Monohydrate (CAS# 2339-59-5), is a white crystalline solid compound that is primarily used in organic synthesis. It is characterized by its unique chemical structure, which makes it a valuable component in the creation of various chemical compounds and materials.

Uses

Used in Organic Synthesis:
4-FLUORO-BENZAMIDINE HCL H2O is used as a synthetic building block for the development of new organic compounds. Its application in this field is due to its versatile chemical properties, which allow it to be easily integrated into a wide range of chemical reactions and processes.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 4-FLUORO-BENZAMIDINE HCL H2O is used as an intermediate in the synthesis of various drugs and drug candidates. Its unique chemical structure contributes to the development of new therapeutic agents with potential applications in treating various diseases and medical conditions.
Used in Chemical Research:
4-FLUORO-BENZAMIDINE HCL H2O is also utilized in chemical research as a tool to study and understand the properties and behavior of different chemical compounds. Its use in this context is driven by its ability to interact with a variety of other molecules, providing valuable insights into chemical reactions and mechanisms.
Used in Material Science:
In the field of material science, 4-FLUORO-BENZAMIDINE HCL H2O is employed in the development of new materials with specific properties. Its incorporation into various materials can result in improved performance characteristics, such as enhanced stability, reactivity, or selectivity, depending on the desired application.

InChI:InChI=1/C7H7FN2.ClH.H2O/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4H,(H3,9,10);1H;1H2

Upstream product

• 67-56-1 methanol 
• 1194-02-1 4-fluorobenzonitrile 
• 456-14-4 4-fluorobenzamidine hydrochloride 

Downstream Products

• 76128-79-5 4-hydroxy-2-(p-fluorophenyl)pyrimidine 
• 115127-46-3 bromo(4-fluorophenyl)diazirine 
• 191158-31-3 [2-(4-Fluoro-phenyl)-3H-imidazol-4-yl]-methanol 
• 30748-58-4 2-(4-fluoro-phenyl)-4-hydroxy-pyrimidine-5-carboxylic acid ethyl ester 
• 886761-29-1 4-amino-5-cyano-2-(p-fluorophenyl)-6-(p-nitrophenyl)pyrimidine 
• 30748-63-1 4-chloro-2-(4-fluoro-phenyl)-pyrimidine-5-carboxylic acid ethyl ester 
• 1027964-87-9 5-Chloromethyl-2-(4-fluoro-phenyl)-1H-imidazole 
• 76128-71-7 4-chloro-2-(p-fluorophenyl)pyrimidine 
• 76128-73-9 4-bromo-2-(p-fluorophenyl)pyrimidine 
• 76128-75-1 4-methoxy-2-(p-fluorophenyl)pyrimidine 
• 76144-36-0 4-cyano-2-(p-fluorophenyl)pyrimidine 
• 76128-76-2 4-dimethylamino-2-(p-fluorophenyl)pyrimidine 
• 76128-81-9 <2-(p-fluorophenyl)-4-pyrimidyl>trimethylammonium chloride 
• 116548-93-7 (4-fluorophenyl)methoxydiaziridine 

Relevant articles and documents

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Based on the novel allosteric site of deoxyhypusine synthase (DHPS), two series of 30 novel 5-(2-methoxyphenoxy)-2-phenylpyrimidin-4-amine derivatives as DHPS inhibitors were designed and synthesized. Among them, compound8m, with the best DHPS inhibitory potency (IC50= 0.014 μM), exhibited excellent inhibition against melanoma cells, which was superior to that of GC7. Besides, molecular docking and molecular dynamics (MD) simulations further proved that compound8mwas tightly bound to the allosteric site of DHPS. Flow cytometric analysis and enzyme-linked immunosorbent assay (ELISA) showed that compound8mcould inhibit the intracellular reactive oxygen species (ROS) level. Furthermore, by western blot analysis, compound8meffectively activated caspase 3 and decreased the expressions of GP-100, tyrosinase, eIF5A2, MMP2, and MMP9. Moreover, both Transwell analysis and wound healing analysis showed that compound8mcould inhibit the invasion and migration of melanoma cells. In thein vivostudy, the tumor xenograft model showed that compound8meffectively inhibited melanoma development with low toxicity.

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