129564-34-7

Basic information

• Product Name: 2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE
• Synonyms: 2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE;2-(2,6-dichlorophenyl)acetohydrazide(SALTDATA: FREE);2-(2,6-dichlorophenyl)ethanehydrazide;Oprea1_504371;STK331955
• CAS NO: 129564-34-7
• Molecular Formula: C₈H₈Cl₂N₂O
• Molecular Weight: 219.07
• Mol File: 129564-34-7.mol

Chemical Properties

• Boiling Point: 421.3°C at 760 mmHg
• Flash Point: 208.6°C
• Appearance: /
• Density: 1.406g/cm³
• Vapor Pressure: 2.64E-07mmHg at 25°C
• Refractive Index: 1.592
• CAS DataBase Reference: 2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE(129564-34-7)
• EPA Substance Registry System: 2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE(129564-34-7)

Safety Data

• Hazardous Substances Data: 129564-34-7(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE is used as a key intermediate in the synthesis of various pharmaceutical drugs due to its unique chemical structure and properties.
Used in Anti-tubercular Applications:
2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE is used as an anti-tubercular agent, exhibiting activity against Mycobacterium tuberculosis, the causative agent of tuberculosis.
Used in Antimicrobial Applications:
2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE is used as an antimicrobial agent, demonstrating effectiveness against a range of bacteria and potentially contributing to the development of new antibiotics.
Used in Anti-inflammatory Applications:
2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE is used as an anti-inflammatory agent, inhibiting the release of inflammatory mediators such as leukotriene B4 and prostaglandin, making it useful in the treatment of various inflammatory conditions.
Used in Alzheimer's Disease Research:
2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE is used as a potential therapeutic agent in the treatment of Alzheimer's disease, with ongoing research to explore its neuroprotective properties and mechanisms of action.
Safety Precautions:
2-(2,6-DICHLOROPHENYL)ACETOHYDRAZIDE is toxic if swallowed or inhaled and may cause skin and eye irritation. It should be handled with care and appropriate safety measures should be taken during its use and storage.

InChI:InChI=1/C8H8Cl2N2O/c9-6-2-1-3-7(10)5(6)4-8(13)12-11/h1-3H,4,11H2,(H,12,13)

Upstream product

• 90793-64-9 ethyl 2-(2,6-dichlorophenyl)acetate 
• 6575-24-2 2-(2,6-dichlorophenyl)acetic acid 

Downstream Products

• 1228384-31-3 C₉H₇Cl₂N₃O 
• 1045819-87-1 N-(2,4-dichlorophenyl)-5-(2,6-dichlorobenzyl)-1,3,4-oxadiazol-2-amine 
• 903719-39-1 C₁₆H₁₃Cl₃N₂O₂ 
• 894257-94-4 N-(4-chlorophenyl)-2-(2-(2,6-dichlorophenyl)acetyl)hydrazinecarbothioamide 
• 1045820-36-7 C₁₆H₁₂Cl₂N₄O₂ 
• 890966-11-7 C₁₅H₁₂Cl₃N₃O₂ 
• 890966-18-4 C₁₅H₁₂Cl₃N₃O₂ 

Relevant articles and documents

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Optimization of azoles as anti-human immunodeficiency virus agents guided by free-energy calculations

Efficient optimization of an inactive 2-anilinyl-5-benzyloxadiazole core has been guided by free energy perturbation (FEP) calculations to provide potent non-nucleoside inhibitors of human immunodeficiency virus (HIV) reverse transcriptase (NNRTIs). An FEP "chlorine scan" was performed to identify the most promising sites for substitution of aryl hydrogens. This yielded NNRTIs 8 and 10 with activities (EC50) of 820 and 310 nM for protection of human T-cells from infection by wild-type HIV-1. FEP calculations for additional substituent modifications and change of the core heterocycle readily led to oxazoles 28 and 29, which were confirmed as highly potent anti-HIV agents with activities in the 10-20 nM range. The designed compounds were also monitored for possession of desirable pharmacological properties by use of additional computational tools. Overall, the trends predicted by the FEP calculations were well borne out by the assay results. FEP-guided lead optimization is confirmed as a valuable tool for molecular design including drug discovery; chlorine scans are particularly attractive since they are both straightforward to perform and highly informative.