22347-29-1

Basic information

• Product Name: 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole
• Synonyms: 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole;YJRIGYBILBNKPH-UHFFFAOYSA-N
• CAS NO: 22347-29-1
• Molecular Formula: C₇H₅BrN₄S
• Molecular Weight: 257.11
• Mol File: 22347-29-1.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 311.4°Cat760mmHg
• Flash Point: 142.1°C
• Appearance: /
• Density: 1.91g/cm³
• Vapor Pressure: 0.000566mmHg at 25°C
• Refractive Index: 1.804
• CAS DataBase Reference: 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole(22347-29-1)
• EPA Substance Registry System: 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole(22347-29-1)

Safety Data

• Hazardous Substances Data: 22347-29-1(Hazardous Substances Data)

Usage

General Description

1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole is a chemical compound with the molecular formula C7H5BrN4S. It is a tetrazole derivative, which has potential applications in the pharmaceutical and agricultural industries. Tetrazole derivatives are known for their pharmacological properties, including antihypertensive, anticonvulsant, and antifungal activities. The 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole compound contains a bromine atom and a thiol group, which could make it useful for various chemical reactions and synthesis processes. 1-(4-bromophenyl)-5-mercapto-1,2,3,4-tetrazole may also have potential use as a ligand in coordination chemistry and catalysis. Further research and testing are needed to fully understand and utilize the potential applications of this compound.

InChI:InChI=1/C7H5BrN4S/c8-5-1-3-6(4-2-5)12-7(13)9-10-11-12/h1-4H,(H,9,11,13)

Upstream product

• 106-40-1 4-bromo-aniline 
• 53662-49-0 4-bromophenyl dithiocarbamic acid triethylammonium 
• 1985-12-2 4-Bromophenyl isothiocyanate 

Downstream Products

• 1618101-32-8 1-(4-bromophenyl)-5-methylsulfonyl-1H-tetrazole 
• 1618101-41-9 5-[(3,5-Dinitrobenzyl)oxy]-1-(4-bromophenyl)-1H-tetrazole 
• 1618101-17-9 5-[(3,5-dinitrobenzyl)sulfanyl]-1-(4-bromophenyl)-1H-tetrazole 
• 138841-24-4 (1-(4-bromophenyl)tetrazol-5-ylthio)acetohydroxamic acid 
• 138841-22-2 (1-(4-bromophenyl)tetrazol-5-ylthio)acetohydrazide 
• 138841-21-1 (1-(4-bromophenyl)tetrazol-5-ylthio)acetamide 
• 78356-15-7 (1-(4-bromophenyl)tetrazol-5-ylthio)acetic acid 
• 138841-19-7 methyl (1-(4-bromophenyl)tetrazol-5-ylthio)acetate 

Relevant articles and documents

Discovery of quinazoline derivatives as a novel class of potent and in vivo efficacious LSD1 inhibitors by drug repurposing

Histone lysine-specific demethylase 1 (LSD1) is an important epigenetic modulator, and is implicated in malignant transformation and tumor pathogenesis in different ways. Therefore, the inhibition of LSD1 provides an attractive therapeutic target for cancer therapy. Based on drug repurposing strategy, we screened our in-house chemical library toward LSD1, and found that the EGFR inhibitor erlotinib, an FDA-approved drug for lung cancer, possessed low potency against LSD1 (IC50 = 35.80 μM). Herein, we report our further medicinal chemistry effort to obtain a highly water-soluble erlotinib analog 5k (>100 mg/mL) with significantly enhanced inhibitory activity against LSD1 (IC50 = 0.69 μM) as well as higher specificity. In MGC-803 cells, 5k suppressed the demethylation of LSD1, indicating its cellular activity against the enzyme. In addition, 5k had a remarkable capacity to inhibit colony formation, suppress migration and induce apoptosis of MGC803 cells. Furthermore, in MGC-803 xenograft mouse model, 5k treatment resulted in significant reduction in tumor size by 81.6% and 96.1% at dosages of 40 and 80 mg/kg/d, respectively. Our findings indicate that erlotinib-based analogs provide a novel structural set of LSD1 inhibitors with potential for further investigation, and may serve as novel candidates for the treatment of LSD1-overexpressing cancers.