5330-71-2

Basic information

• Product Name: Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)
• Synonyms: 4-(phenylmethoxycarbonylamino)benzoic acid;4-(Cbz-amino)benzoic acid;Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)
• CAS NO: 5330-71-2
• Molecular Formula: C₁₅H₁₃NO₄
• Molecular Weight: 271.26802
• Product Categories: N-CBZ
• Mol File: 5330-71-2.mol
• Article Data: 10

Chemical Properties

• Melting Point: 217 °C (decomp)
• Boiling Point: 425.1 °C at 760 mmHg
• Flash Point: 210.9 °C
• Appearance: /
• Density: 1.342g/cm³
• Vapor Pressure: 5.5E-08mmHg at 25°C
• Refractive Index: 1.649
• PKA: 4.32±0.10(Predicted)
• CAS DataBase Reference: Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)(5330-71-2)
• EPA Substance Registry System: Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI)(5330-71-2)

Safety Data

• Hazardous Substances Data: 5330-71-2(Hazardous Substances Data)

Usage

General Description

Benzoic acid, 4-[[(phenylmethoxy)carbonyl]amino]- (9CI) is a chemical compound that is commonly used as a food preservative and for its antimicrobial properties. It is also used in the production of various pharmaceuticals and as a precursor for the synthesis of other organic compounds. This chemical is known for its role in inhibiting the growth of bacteria, fungi, and yeast, making it a valuable ingredient in many consumer products. It is considered safe for use in food and pharmaceuticals, but appropriate precautions should be taken when handling and using this compound to avoid potential health hazards.

InChI:InChI=1/C15H13NO4/c17-14(18)12-6-8-13(9-7-12)16-15(19)20-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,19)(H,17,18)

Upstream product

• 150-13-0 4-amino-benzoic acid 
• 501-53-1 benzyl chloroformate 
• 10541-83-0 N-methyl-p-aminobenzoic acid 
• 13139-17-8 N-(Benzyloxycarbonyloxy)succinimide 

Downstream Products

• 249929-79-1 4-amino-N-(6-amino-2,4-dioxo-1,3-dipropyl-1,2,3,4-tetrahydro-pyrimidin-5-yl)-benzamide 
• 54-62-6 aminopterin 
• 1351464-49-7 (S)-1-benzyl 4-(2-(4-(benzyloxycarbonylamino)benzoyloxy)ethyl) 2-(9H-carbazol-9-yl)succinate 
• 1351464-53-3 (S)-1-benzyl 5-(2-(4-(benzyloxycarbonylamino)benzoyloxy)ethyl) 2-(9H-carbazol-9-yl)pentanedioate 

Relevant articles and documents

CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF

Disclosed are a class of compounds as a caspase inhibitor, and in particular the compound as shown in formula (I) or a pharmaceutically acceptable salt thereof, and the use of the compound in treating caspase-related diseases.

PRODRUGS ACTIVATED BY REACTIVE OXYGEN SPECIES FOR USE IN THE TREATMENT OF INFLAMMATORY DISEASES AND CANCER

Prodrugs activated predominantly or exclusively in inflammatory tissue, more particularly prodrugs of methotrexate and derivatives thereof, which are selectively activated by Reactive Oxygen Species (ROS) in inflammatory tissues associated with cancer and inflammatory diseases, as well as method for preparing said prodrugs.

Highly potent and selective fluorescent antagonists of the human adenosine A3 receptor based on the 1,2,4-triazolo[4,3-a]quinoxalin-1-one scaffold

The adenosine-A3 receptor (A3AR) is a G protein-coupled receptor that shows promise as a therapeutic target for cancer, glaucoma, and various autoimmune inflammatory disorders, and as such, there is a need for molecular probes to study this receptor. Here, we report a series of fluorescent ligands containing different linkers and fluorophores based around a 1,2,4-triazolo[4,3-a]quinoxalin-1-one antagonist. One of these conjugates (19) displayed high affinity for the A3AR (pKD = 9.36 ± 0.12) and is >650-fold selective over other adenosine receptor subtypes. Confocal microscopy revealed clear, displaceable membrane labeling of CHO-A 3 cells with 19, with no detectable labeling of CHO-A1 cells under identical conditions. This fluorescent ligand was also able to specifically label the A3AR in HEK293T cells containing a mixed adenosine receptor population. The subtype specificity, along with its excellent imaging properties, make 19 an ideal tool for studying A3AR distribution and organization, particularly in the presence of other adenosine receptor subtypes.