89521-55-1

Basic information

• Product Name: 3-(Benzyloxy)benzene-1,2-diaMine
• Synonyms: 3-(Benzyloxy)benzene-1,2-diaMine
• CAS NO: 89521-55-1
• Molecular Formula: C₁₃H₁₄N₂O
• Molecular Weight: 214.26306
• Mol File: 89521-55-1.mol
• Article Data: 7

Chemical Properties

• Boiling Point: 402.4±30.0 °C(Predicted)
• Appearance: /
• Density: 1.199±0.06 g/cm3(Predicted)
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 4.33±0.10(Predicted)
• CAS DataBase Reference: 3-(Benzyloxy)benzene-1,2-diaMine(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(Benzyloxy)benzene-1,2-diaMine(89521-55-1)
• EPA Substance Registry System: 3-(Benzyloxy)benzene-1,2-diaMine(89521-55-1)

Safety Data

• Hazardous Substances Data: 89521-55-1(Hazardous Substances Data)

Usage

General Description

3-(Benzyloxy)benzene-1,2-diaMine is a chemical compound with the molecular formula C14H16N2O. It is a derivative of aniline with a benzyl ether group attached to the amino groups on the benzene ring. 3-(Benzyloxy)benzene-1,2-diaMine is commonly used in organic synthesis and pharmaceutical research as a building block for the synthesis of various pharmaceuticals and bioactive molecules. It has also been studied for its potential pharmacological properties, including as a potential anticancer agent. The chemical structure and properties of 3-(Benzyloxy)benzene-1,2-diaMine make it an important compound in the field of medicinal chemistry and drug development.

Upstream product

• 100-39-0 benzyl bromide 
• 100-44-7 benzyl chloride 
• 603-85-0 2-Amino-3-nitrophenol 
• 66-56-8 2,3-dinitrophenol 
• 103080-31-5 2,3-dinitrophenol benzyl ether 
• 89521-54-0 2-(benzyloxy)-6-nitroaniline 

Downstream Products

• 89521-56-2 (7-Benzyloxy-1H-benzoimidazol-2-yl)-phenyl-methanol 
• 103059-25-2 2-(phenylmethyl)-1H-benzimidazol-4-ol 
• 103059-47-8 2-<(4-methoxyphenyl)methyl>-1H-benzimidazol-4-ol 
• 89521-57-3 2-benzoyl-4⁽⁷⁾-benzyloxy-1H-benzimidazole 
• 89521-59-5 2-benzoyl-4⁽⁷⁾-hydroxy-1H-benzimidazole 
• 495407-43-7 ethyl 8-(benzyloxy)-3-oxo-3,4-dihydroquinoxaline-2-carboxylate 
• 495407-45-9 ethyl [8-(benzyloxy)-3-oxo-3,4-dihydroquinoxaline-2(1H)-ylidene]acetate 
• 1035390-25-0 tert-butyl 4-(2-amino-3-(benzyloxy)phenylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate 
• 1035390-27-2 tert-butyl 4-(2-amino-6-(benzyloxy)phenylcarbamoyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-ylcarbamate 
• 1035391-11-7 tert-butyl N-[4-[(2-amino-3-phenylmethoxyphenyl)carbamoyl]-1-(9H-purin-6-yl)piperidin-4-yl]carbamate 
• 1035391-14-0 tert-butyl N-[4-[(2-amino-6-phenylmethoxyphenyl)carbamoyl]-1-(9H-purin-6-yl)piperidin-4-yl]carbamate 
• 1035391-32-2 tert-butyl 4-(2-amino-3-(benzyloxy)phenylcarbamoyl)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-ylcarbamate 
• 1035391-36-6 tert-butyl 4-(2-amino-6-(benzyloxy)phenylcarbamoyl)-1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-ylcarbamate 

Relevant articles and documents

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The discovery and development of new antibiotics capable of curing infections due to multidrug-resistant and pandrug-resistant Gram-negative bacteria are a major challenge with fundamental importance to our global healthcare system. Part of our broad program at Novartis to address this urgent, unmet need includes the search for new agents that inhibit novel bacterial targets. Here we report the discovery and hit-to-lead optimization of new inhibitors of phosphopantetheine adenylyltransferase (PPAT) from Gram-negative bacteria. Utilizing a fragment-based screening approach, we discovered a number of unique scaffolds capable of interacting with the pantetheine site of E. coli PPAT and inhibiting enzymatic activity, including triazolopyrimidinone 6. Structure-based optimization resulted in the identification of two lead compounds as selective, small molecule inhibitors of bacterial PPAT: triazolopyrimidinone 53 and azabenzimidazole 54 efficiently inhibited E. coli and P. aeruginosa PPAT and displayed modest cellular potency against the efflux-deficient E. coli ΔtolC mutant strain.

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