4120-78-9

Basic information

• Product Name: N(3-PHENANTHRYL)ACETAMIDE
• Synonyms: N(3-PHENANTHRYL)ACETAMIDE
• CAS NO: 4120-78-9
• Molecular Formula: C16H13NO
• Molecular Weight: 235.28052
• Mol File: 4120-78-9.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 377.68°C (rough estimate)
• Flash Point: 302.8°C
• Appearance: /
• Density: 1.0711 (rough estimate)
• Vapor Pressure: 2.12E-10mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• CAS DataBase Reference: N(3-PHENANTHRYL)ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: N(3-PHENANTHRYL)ACETAMIDE(4120-78-9)
• EPA Substance Registry System: N(3-PHENANTHRYL)ACETAMIDE(4120-78-9)

Safety Data

• Hazardous Substances Data: 4120-78-9(Hazardous Substances Data)

Usage

Safety Profile

Questionable carcinogen with experimental carcinogenic and tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

InChI:InChI=1/C16H13NO/c1-11(18)17-14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3,(H,17,18)

Upstream product

• 2039-76-1 1-(phenanthren-3-yl)ethanone 
• 10026-13-8 phosphorus pentachloride 
• 5968-50-3 1-(phenanthren-3-yl)ethanone oxime 
• 71-43-2 benzene 
• 7647-01-0 hydrogenchloride 
• 108-24-7 acetic anhydride 
• 64-19-7 acetic acid 
• 1892-54-2 3-aminophenanthrene 
• 605-87-8 3-Phenanthrol 
• 127-09-3 sodium acetate 

Downstream Products

• 1892-54-2 3-aminophenanthrene 
• 440-40-4 3-Fluorophenanthrene 

Relevant articles and documents

Sulfuryl Fluoride Mediated Synthesis of Amides and Amidines from Ketoximes via Beckmann Rearrangement

A metal-free and redox-neutral method for Beckmann rearrangement employing inexpensive and readily available SO2F2 gas is described. The reported transformation proceeds at ambient temperature and is compatible with a wide range of sterically and electronically diverse aromatic, heteroaromatic, aliphatic and lignin-like oximes providing amides in good to excellent yields. The reaction proceeds through the formation of an imidoyl fluoride intermediate that can also be used for the synthesis of amidines.

Substituted phenanthrene imidazoles as potent, selective, and orally active mPGES-1 inhibitors

Phenanthrene imidazole 3 (MF63) has been identified as a novel potent, selective, and orally active mPGES-1 inhibitor. This new series was developed by lead optimization of a hit from an internal HTS campaign. Compound 3 is significantly more potent than the previously reported indole carboxylic acid 1 with an A549 whole cell IC50 of 0.42 μM (50% FBS) and a human whole blood IC50 of 1.3 μM. It exhibited a significant analgesic effect in a guinea pig hyperalgesia model when orally dosed at 30 and 100 mg/kg.

2-(PHENYL OR HETEROCYCLIC)-1H-PHENANTRHO[9,10-D]IMIDAZOLES AS MPGES-1 INHIBITORS

The invention encompasses novel compounds of Formula I INSERT FORMULA I FROM CLAIM 1 or pharmaceutically acceptable salts thereof. These compounds are inhibitors of the microsomal prostaglandin E synthase-1 (mPGES-1) enzyme and are therefore useful to treat pain and/or inflammation from a variety of diseases or conditions, such as osteoarthritis, rheumatoid arthritis and acute or chronic pain. Methods of treating diseases or conditions mediated by the mPGES-1 enzyme and pharmaceutical compositions are also encompassed.