937688-47-6

Basic information

• Product Name: 2-(3-Fluoro-benzylaMino)-ethanol
• Synonyms: 2-(3-Fluoro-benzylaMino)-ethanol
• CAS NO: 937688-47-6
• Molecular Formula: C₉H₁₂FNO
• Molecular Weight: 169.1960832
• Mol File: 937688-47-6.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 2-(3-Fluoro-benzylaMino)-ethanol(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(3-Fluoro-benzylaMino)-ethanol(937688-47-6)
• EPA Substance Registry System: 2-(3-Fluoro-benzylaMino)-ethanol(937688-47-6)

Safety Data

• Hazardous Substances Data: 937688-47-6(Hazardous Substances Data)

Usage

Structure

Fluoro-substituted benzylamine derivative with a hydroxyl group attached to the amino functionality.

Applications

Pharmaceutical research, drug development, synthesis of various organic compounds, and as a precursor in the preparation of complex molecules with biological activity.

Importance

Valuable building block, unique structure, and functional groups that contribute to its potential value in research and industrial applications.

Upstream product

• 141-43-5 ethanolamine 
• 456-48-4 3-Fluorobenzaldehyde 
• 100-82-3 (3-fluorophenyl)methanamine 
• 107-07-3 2-chloro-ethanol 

Relevant articles and documents

Biphenyl formamide urea compound, and preparation method and application thereof

The invention belongs to the technical field of medicines, particularly relates to the field of treatment of tumor-related diseases, and relates to a biphenyl formamide urea compound, and a preparation method and application thereof. In order to solve the problem that the effect of a ROCK inhibitor in the prior art still needs to be improved, the invention provides the biphenyl formamide urea compound represented by formula (I) shown in the specification. The novel biphenyl formamide urea ROCKI inhibitor is prepared through a dominant fragment heterozygosis design strategy, so that the novel biphenyl formamide urea ROCKI inhibitor can simultaneously extend into target key binding regions (a pocket A and a pocket D) to improve the target affinity with the ROCKI inhibitor; further, the ROCK inhibition effect and the anti-tumor effect are improved.

Structural studies on bioactive compounds. 34.1 Design, synthesis, and biological evaluation of triazenyl-substituted pyrimethamine inhibitors of Pneumocystis carinii dihydrofolate reductase

The triazenyl-pyrimethamine derivative 3a (TAB), a potent and selective inhibitor of Pneumocystis carinii DHFR, was selected as the starting point for a lead optimization study. Molecular modeling studies, corroborated by a recent crystal structure determination of the ternary complex of P. carinii DHFR-NADPH bound to TAB, predicted that modifications to the acetoxy residue of the lead inhibitor could exploit binding opportunities in the vicinity of an active site pocket bounded by residues Ile33, Lys37, and Leu72. Substitutions in the benzyl moiety with electron-donating and electron-withdrawing groups were predicted to probe face-edge interactions with amino acid Phe69 unique to the P. carinii enzyme. New triazenes 10a-v and 12a-f were prepared by coupling the diazonium tetrafluoroborate salt 6b of aminopyrimethamine with substituted benzylamines or phenethylamines. The most potent of the new inhibitors against P. carinii DHFR was the naphthylmethyl-substituted triazene 10t (IC50: 0.053 μM), but a more substantial increase in potency against the rat liver DHFR led to a reduction in selectivity (ratio rat liver DHFR IC50/P. carinii DHFR IC50: 5.36) compared to the original lead structure 3a (ratio rat liver DHFR IC50/P. carinii DHFR IC50: 114).