90815-01-3

Basic information

• Product Name: 1-(3-CHLOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE
• Synonyms: 1-(3-CHLOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE;1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde(SALTDATA: FREE)
• CAS NO: 90815-01-3
• Molecular Formula: C₁₆H₁₂ClNO
• Molecular Weight: 269.73
• Mol File: 90815-01-3.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 465.5°C at 760 mmHg
• Flash Point: 235.3°C
• Appearance: /
• Density: 1.21g/cm³
• Vapor Pressure: 7.66E-09mmHg at 25°C
• Refractive Index: 1.62
• CAS DataBase Reference: 1-(3-CHLOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-CHLOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE(90815-01-3)
• EPA Substance Registry System: 1-(3-CHLOROBENZYL)-1H-INDOLE-3-CARBALDEHYDE(90815-01-3)

Safety Data

• Hazardous Substances Data: 90815-01-3(Hazardous Substances Data)

Usage

General Description

1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde is a chemical compound with the molecular formula C16H12ClNO. It is a derivative of indole, a heterocyclic organic compound commonly found in natural products and pharmaceuticals. The compound contains a chlorobenzyl group and an aldehyde group, which make it useful in various chemical reactions and synthetic processes. It is also known for its potential pharmacological activities and has been studied for its potential as an antifungal and antibacterial agent. Overall, 1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde is a versatile compound with potential applications in the fields of organic synthesis and medicinal chemistry.

InChI:InChI=1/C16H12ClNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10-11H,9H2

Upstream product

• 487-89-8 Indole-3-carboxaldehyde 
• 620-20-2 1-Chloro-3-chloromethyl-benzene 

Downstream Products

• 1593928-65-4 (E)-3-(1-(3-chlorobenzyl)-1H-indol-3-yl)-1-(5-methoxy-2,2-dimethyl-2H-chromen-8-yl)prop-2-en-1-one 
• 1394047-30-3 C₂₉H₂₉ClN₆O₂S 
• 1399879-53-8 (E)-4,4'-(6-(2-((1-(3-chlorobenzyl)-1H-indol-3-yl)methylene)hydrazinyl)-1,3,5-triazine-2,4-diyl)dimorpholine 
• 92407-90-4 1-[(3-chlorophenyl)methyl]-1H-indole-3-methanol 
• 93548-87-9 1-(3-Chloro-benzyl)-1H-indole-3-carboxylic acid 

Relevant articles and documents

Synthesis and antimicrobial activities of new thiosemicarbazones and thiazolidinones in indole series

Abstract: New thiosemicarbazones were synthesized in excellent yield reaction of indole derivatives with thiosemicarbazides. These thiosemicarbazones were reacted with ethyl bromoacetate to produce original heterocyclic-substituted indole derivatives possessing a 4-oxo-thiazolidine group. Analytical IR and NMR spectra and elemental analysis were performed to reveal their structures. The antimicrobial activity of all synthesized compounds was evaluated for antibacterial activity in vitro against Gram-positive and Gram-negative bacteria. Antibacterial screening data showed that two compounds demonstrated activity against Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. These preliminary results indicate that some of these newly synthesized compounds show a promising antibacterial potency. Graphic abstract: [Figure not available: see fulltext.].

Molecular dynamics guided development of indole based dual inhibitors of EGFR (T790M) and c-MET

Secondary acquired mutation in EGFR, i.e. EGFR T790M and amplification of c-MET form the two key components of resistant NSCLC. Thus, previously published pharmacophore models of EGFR T790M and c-MET were utilized to screen an in-house database. On the ba

Structure-based design of new poly (ADP-ribose) polymerase (PARP-1) inhibitors

Poly (ADP-ribose) polymerase (PARP-1) is a well-established nuclear protein with prominent role in signaling and DNA repair. Various clinical candidates have been identified with the role in PARP-1 inhibition. Based on the pharmacophoric features identified from previous studies and molecular docking interactions, thiazolidine-2,4-dione derivatives have been evaluated for their PARP inhibitory activity. From an in vitro assay, 5-((1-(4-isopropylbenzyl)-1H-indol-3-yl)methylene)thiazolidine-2,4-dione (16) was identified as a potent inhibitor having low micromolar inhibitory activity (IC50=0.74±0.25μM). Thus, a structure-based design approach utilized in the present study helped to identify thiazolidine-2,4-dione as a novel scaffold against PARP-1 for potential development of potent anticancer therapeutics.