198904-53-9

Basic information

• Product Name: 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE
• Synonyms: 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE;4-THIAZOL-2-YL-BENZALDEHYDE;2-(4-Formylphenyl)thiazole-4-carboxylic acid;2-(4-Formylphenyl)thiazole-5-carboxylic acid;4-(5-Nitrothiazol-2-yl)benzaldehyde;4-THIAZOL-2-YL-BENZALDEHYDE, 95+%
• CAS NO: 198904-53-9
• Molecular Formula: C₁₀H₇NOS
• Molecular Weight: 189.23
• Product Categories: Aldehydes;Phenyls & Phenyl-Het;Phenyls & Phenyl-Het
• Mol File: 198904-53-9.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 350.298 °C at 760 mmHg
• Flash Point: 165.655 °C
• Appearance: /
• Density: 1.269 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.645
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE(198904-53-9)
• EPA Substance Registry System: 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE(198904-53-9)

Safety Data

• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39
• Hazardous Substances Data: 198904-53-9(Hazardous Substances Data)

Usage

Description

4-(1,3-THIAZOL-2-YL)BENZALDEHYDE, with the molecular formula C10H7NOS, is a chemical compound that belongs to the aldehyde class. It features a benzene ring fused to a thiazole ring, endowing it with a distinctive aromatic and fruity scent. 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE is recognized for its potential applications in various industries, including pharmaceuticals, agrochemicals, and organic synthesis, as well as its unique chemical structure that piques the interest of researchers across different fields.

Uses

Used in Pharmaceutical Industry:
4-(1,3-THIAZOL-2-YL)BENZALDEHYDE is used as an intermediate in the synthesis of various pharmaceuticals for its potential medicinal properties. It is particularly noted for its antimicrobial and anticancer activities, making it a valuable component in the development of new drugs.
Used in Agrochemical Industry:
In the agrochemical sector, 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE is utilized as a precursor in the production of agrochemicals, contributing to the development of effective pest control agents and other agricultural products.
Used in Organic Synthesis:
4-(1,3-THIAZOL-2-YL)BENZALDEHYDE serves as a key building block in organic synthesis, enabling the creation of a wide range of chemical compounds with diverse applications.
Used as a Flavoring Agent in the Food Industry:
Leveraging its strong aromatic and fruity odor, 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE is used as a flavoring agent in the food industry to enhance the taste and aroma of various food products.
Used in Research:
Due to its unique chemical structure and potential applications, 4-(1,3-THIAZOL-2-YL)BENZALDEHYDE is a subject of interest in research, where it is studied for further exploration of its properties and possible uses in various fields.

InChI:InChI=1/C10H7NOS/c12-7-8-1-3-9(4-2-8)10-11-5-6-13-10/h1-7H

Upstream product

• 3034-53-5 2-bromo-1,3-thiazole 
• 24856-58-4 1,1-dimethoxy-1-(4-bromophenyl)methane 
• 1122-91-4 4-bromo-benzaldehyde 
• 389630-95-9 (thiazol-2-yl)boronic acid 
• 87199-17-5 4-formylphenylboronic acid, 
• 3034-52-4 2-chlorothiazole 

Downstream Products

• 198904-55-1 N-1-(tert-butyloxycarbonyl)-N-2-[4-(thiazol-2-yl)benzyl]hydrazine 
• 198904-57-3 1-[4-(thiazol-2-yl)-phenyl]-4(S)-hydroxy-5(S)-2,5-diamino-6-phenyl-2-azahexane 
• 198904-59-5 1-[4-(thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-(tert-butoxycarbonyl)amino-5(S)-amino-6-phenyl-2-azahexane 
• 198904-61-9 1-[4-(thiazol-2-yl)-phenyl]-4(S)-hydroxy-2-amino-5 (S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane 
• 198904-56-2 1-[4-(Thiazol-2-yl)-phenyl]-4(S)-hydroxy-5(S)-2,5-bis[(tert-butoxycarbonyl)amino]-6-phenyl-2-azahexane 
• 198904-58-4 N'-[(2S,3S)-2-Hydroxy-4-phenyl-3-(2,2,2-trifluoro-acetylamino)-butyl]-N'-(4-thiazol-2-yl-benzyl)-hydrazinecarboxylic acid tert-butyl ester 
• 198904-60-8 N'-[(2S,3S)-2-Hydroxy-3-((S)-2-methoxycarbonylamino-3-methyl-butyrylamino)-4-phenyl-butyl]-N'-(4-thiazol-2-yl-benzyl)-hydrazinecarboxylic acid tert-butyl ester 
• 198904-02-8 {(S)-1-[N'-[(2S,3S)-2-Hydroxy-3-((S)-2-methoxycarbonylamino-3-methyl-butyrylamino)-4-phenyl-butyl]-N'-(4-thiazol-2-yl-benzyl)-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester 
• 198904-01-7 CGP 75136 
• 210114-78-6 {3-[(4-thiazol-2-yl-benzylamino)-methyl]-phenoxy}-acetic acid tert-butyl ester 
• 266369-49-7 4-(1,3-Thiazol-2-yl)benzoic acid 
• 1187451-26-8 4-(thiazol-2-yl)benzyl bromide 
• 1187451-27-9 2-{4-[bis(tert-butoxycarbonyl)aminomethyl]phenyl}thiazole 
• 1187450-46-9 (6-{(pyridin-3-ylsulfonyl)[4-(thiazol-2-yl)benzyl]aminomethyl}-pyridin-2-ylamino)acetic acid 

Relevant articles and documents

Discovery of novel “Dual-site” binding oseltamivir derivatives as potent influenza virus neuraminidase inhibitors

From our research group, it was noticed that oseltamivir derivatives targeting 150-cavity of neuraminidase enzyme (NA) could significantly increase antiviral activity. Thus, we further enriched the C5–NH2 position of oseltamivir structure to ob

BENZIMIDAZOLE COMPOUNDS AND USE THEREOF FOR TREATING ALZHEIMER'S DISEASE OR HUNTINGTON'S DISEASE

Benzimidazole compounds of formula (I), shown below, are disclosed. The compounds are potent human glutaminyl cyclase inhibitors. Also disclosed is a pharmaceutical composition containing one of these compounds and a pharmaceutical acceptable carrier, as well as a method of treating Alzheimer's disease or Huntington's disease by administering to a subject in need thereof an effective amount of such a compound.

Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity

Poly(adenosine 5′-diphosphate-ribose) polymerase (PARP) inhibitors are a class of anticancer drugs that block the catalytic activity of PARP proteins. Optimization of our lead compound 1 ((Z)-2-benzylidene-3-oxo-2,3-dihydrobenzofuran-7-carboxamide; PARP-1 IC50 = 434 nM) led to a tetrazolyl analogue (51, IC50 = 35 nM) with improved inhibition. Isosteric replacement of the tetrazole ring with a carboxyl group (60, IC50 = 68 nM) gave a promising new lead, which was subsequently optimized to obtain analogues with potent PARP-1 IC50 values (4-197 nM). PARP enzyme profiling revealed that the majority of compounds are selective toward PARP-2 with IC50 values comparable to clinical inhibitors. X-ray crystal structures of the key inhibitors bound to PARP-1 illustrated the mode of interaction with analogue appendages extending toward the PARP-1 adenosine-binding pocket. Compound 81, an isoform-selective PARP-1/-2 (IC50 = 30 nM/2 nM) inhibitor, demonstrated selective cytotoxic effect toward breast cancer gene 1 (BRCA1)-deficient cells compared to isogenic BRCA1-proficient cells.