77498-98-7

Basic information

• Product Name: 2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE
• Synonyms: 2-Phenyl-1H-imidazole-4-carboxylic acid 1.5 hydrate;2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE;2-phenyl-1H-imidazole-4-carboxylic acid;2-Phenyl-1H-imidazole-4-carboxylic acid hydrate 95%;4-Carboxy-2-phenyl-1H-imidazole hydrate;4-Carboxy-2-phenyl-1H-imidazole hydrate, (4-Carboxy-1H-imidazol-2-yl)benzene hydrate;2-Phenyl-1H-imidazole-4-carboxylicacidhydrate95%;2-Phenyl-1h-imidazole-4-carnpxylic acid hydrate
• CAS NO: 77498-98-7
• Molecular Formula: C₁₀H₈N₂O₂
• Molecular Weight: 206.2
• EINECS: 278-701-8
• Product Categories: Carboxylic Acids;Imidazoles & Benzimidazoles;Carboxylic Acids;Imidazoles & Benzimidazoles
• Mol File: 77498-98-7.mol
• Article Data: 6

Chemical Properties

• Melting Point: 217 °C
• Boiling Point: 495.1 °C at 760 mmHg
• Flash Point: 253.2 °C
• Appearance: /
• Density: 1.355g/cm³
• Vapor Pressure: 1.28E-10mmHg at 25°C
• Refractive Index: 1.644
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 2.43±0.10(Predicted)
• CAS DataBase Reference: 2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE(77498-98-7)
• EPA Substance Registry System: 2-PHENYL-1H-IMIDAZOLE-4-CARBOXYLIC ACID HYDRATE(77498-98-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 77498-98-7(Hazardous Substances Data)

Usage

General Description

2-Phenyl-1H-imidazole-4-carboxylic Acid Hydrate is a chemical compound that falls under the category of imidazole and imidazoline derivatives. It has a specific chemical formula and molecular weight that define its structural features. This chemical is recognized for its potential uses in various scientific research and industrial applications. Its hygroscopic nature suggests the compound can retain water, hence its categorization as a hydrate. Like many chemicals, it requires careful handling and storage due to potential safety risks. Its applications and safety measures are largely based on its chemical properties.

InChI:InChI=1/C10H8N2O2/c13-10(14)8-6-11-9(12-8)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)

Upstream product

• 43002-54-6 (2-phenyl-1H-imidazol-4-yl)-methanol 
• 110-89-4 piperidine 
• 33469-36-2 2-phenyl-4-(trifluoromethyl)-1H-imidazole 
• 100-52-7 benzaldehyde 
• 68282-47-3 2-phenyl-1H-imidazole-4-carbaldehyde 
• 32683-00-4 ethyl 2-phenyl-1H-imidazole-5-carboxylate 
• 1199-01-5 2-phenylazlactone 
• 495-69-2 Hippuric Acid 
• 62-53-3 aniline 
• 33469-36-2 2-phenyl-5-(trifluoromethyl)-1H-imidazole 
• 861361-85-5 2-phenyl-1⁽³⁾H-imidazole-4-carboxylic acid anilide 

Downstream Products

• 32683-00-4 ethyl 2-phenylimidazole-4-carboxylate 
• 43002-54-6 (2-phenyl-1H-imidazol-4-yl)-methanol 
• 179333-66-5 2-phenylimidazole-4-carboxylic acid chloride 
• 32682-99-8 methyl 2-phenyl-1H-imidazole-4-carboxylate 
• 787563-23-9 2-phenyl-1-(4-pyridyl)-1H-imidazole-4-carboxylic acid ethyl ester 
• 787563-21-7 2-phenyl-1-(pyridin-4-yl)-1H-imidazole-4-carboxylic acid 
• 1391625-84-5 (3S,6S)-3,6-diisobutyl-4-(2-phenyl-1H-imidazole-4-carbonyl)-piperazin-2-one 

Relevant articles and documents

Oxidation of imidazole- and pyrazole-derived aldehydes by plant aldehyde dehydrogenases from the family 2 and 10

Plant cytosolic aldehyde dehydrogenases from family 2 (ALDH2s, EC 1.2.1.3) are non-specific enzymes and participate for example in the metabolism of acetaldehyde or biosynthesis of phenylpropanoids. Plant aminoaldehyde dehydrogenases (AMADHs, ALDH10 family, EC 1.2.1.19) are broadly specific and play an important role in polyamine degradation or production of osmoprotectants. We have tested imidazole and pyrazole carbaldehydes and their alkyl-, allyl-, benzyl-, phenyl-, pyrimidinyl- or thienyl-derivatives as possible substrates of plant ALDH2 and ALDH10 enzymes. Imidazole represents a building block of histidine, histamine as well as certain alkaloids. It also appears in synthetic pharmaceuticals such as imidazole antifungals. Biological compounds containing pyrazole are rare (e.g. pyrazole-1-alanine and pyrazofurin antibiotics) but the ring is often found as a constituent of many synthetic drugs and pesticides. The aim was to evaluate whether aldehyde compounds based on azole heterocycles are oxidized by the enzymes, which would further support their expected role as detoxifying aldehyde scavengers. The analyzed imidazole and pyrazole carbaldehydes were only slowly converted by ALDH10s but well oxidized by cytosolic maize ALDH2 isoforms (particularly by ALDH2C1). In the latter case, the respective Km values were in the range of 10–2000 μmol l?1; the kcat values appeared mostly between 0.1 and 1.0 s?1. The carbaldehyde group at the position 4 of imidazole was oxidized faster than that at the position 2. Such a difference was not observed for pyrazole carbaldehydes. Aldehydes with an aromatic substituent on their heterocyclic ring were oxidized faster than those with an aliphatic substituent. The most efficient of the tested substrates were comparable to benzaldehyde and p-anisaldehyde known as the best aromatic aldehyde substrates of plant cytosolic ALDH2s in vitro.

Imidazole-derived agonists for the neurotensin 1 receptor

A scaffold-hop program seeking full agonists of the neurotensin-1 (NTR1) receptor identified the probe molecule ML301 (1) and associated analogs, including its naphthyl analog (14) which exhibited similar properties. Compound 1 showed full agonist behavior (79-93%) with an EC50 of 2.0-4.1 μM against NTR1. Compound 1 also showed good activity in a Ca mobilization FLIPR assay (93% efficacy at 298 nM), consistent with it functioning via the G q coupled pathway, and good selectivity relative to NTR2 and GPR35. In further profiling, 1 showed low potential for promiscuity and good overall pharmacological data. This report describes the discovery, synthesis, and SAR of 1 and associated analogs. Initial in vitro pharmacologic characterization is also presented.

Certain pyrazoline derivatives with kinase inhibitory activity

The present invention provides certain pyrazoline compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions and methods of using the compositions in the treatment of various diseases.