65836-72-8

Basic information

• Product Name: 2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE
• Synonyms: 2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE;CHEMBRDG-BB 9070724;2-Chloro-N-((3,4-dimethoxyphenyl)methyl)acetamide;Acetamide, 2-chloro-N-((3,4-dimethoxyphenyl)methyl)-;Brn 2857211;N-(Dimethoxy-3,4 benzyl)-chloroacetamide;N-(Dimethoxy-3,4 benzyl)-chloroacetamide [french];2-chloro-N-(3,4-dimethoxybenzyl)acetamide(SALTDATA: FREE)
• CAS NO: 65836-72-8
• Molecular Formula: C₁₁H₁₄ClNO₃
• Molecular Weight: 243.68676
• EINECS: 604-604-1
• Mol File: 65836-72-8.mol
• Article Data: 11

Chemical Properties

• Melting Point: 116-118 °C(Solv: carbon tetrachloride (56-23-5))
• Boiling Point: 425.7°Cat760mmHg
• Flash Point: 211.3°C
• Appearance: /
• Density: 1.194g/cm³
• Vapor Pressure: 1.87E-07mmHg at 25°C
• Refractive Index: 1.522
• PKA: 13.42±0.46(Predicted)
• CAS DataBase Reference: 2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE(65836-72-8)
• EPA Substance Registry System: 2-CHLORO-N-(3,4-DIMETHOXYBENZYL)ACETAMIDE(65836-72-8)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 65836-72-8(Hazardous Substances Data)

Usage

General Description

2-Chloro-N-(3,4-Dimethoxybenzyl)Acetamide is a chemical compound known by its molecular formula C12H16ClNO3. This solid substance is classified under Amides and features a benzene ring in its structure. It may be used for a variety of applications, but its specific uses largely depend on the context in which it's applied. It's also likely to be handled and stored in a controlled environment due to possible risks and hazards associated with its usage. Its exact properties such as physical characteristics, reactivity, and potential health hazards would need to be identified through specific chemical analysis or Material Safety Data Sheets.

InChI:InChI=1/C11H14ClNO3/c1-15-9-4-3-8(5-10(9)16-2)7-13-11(14)6-12/h3-5H,6-7H2,1-2H3,(H,13,14)

Upstream product

• 5763-61-1 3,4-dimethoxybenzylamine 
• 79-11-8 chloroacetic acid 
• 91-16-7 1,2-dimethoxybenzene 
• 2832-19-1 2-Chloro-N-(hydroxymethyl)acetamide 
• 53527-20-1 chloro-acetic acid-(3,4-dihydroxy-benzylamide) 
• 77-78-1 dimethyl sulfate 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 21763-07-5 6,7-Dimethoxy-1,4-dihydro-2H-isoquinoline-3-one 
• 65609-25-8 N-acetyl-3,4-dimethoxybenzylamine 
• 5763-61-1 3,4-dimethoxybenzylamine 

Relevant articles and documents

Design, synthesis and biological evaluation studies of novel small molecule ENPP1 inhibitors for cancer immunotherapy

Ecto-nucleotide pyrophosphatase/phosphodiesterases 1 (ENPP1 or NPP1), is an attractive therapeutic target for various diseases, primarily cancer and mineralization disorders. The ecto-enzyme is located on the cell surface and has been implicated in the control of extracellular levels of nucleotide, nucleoside and (di) phosphate. Recently, it has emerged as a critical phosphodiesterase that hydrolyzes cyclic 2′3′- cGAMP, the endogenous ligand for STING (STimulator of INterferon Genes). STING plays an important role in innate immunity by activating type I interferon in response to cytosolic 2′3′-cGAMP. ENPP1 negatively regulates the STING pathway and hence its inhibition makes it an attractive therapeutic target for cancer immunotherapy. Herein, we describe the design, optimization and biological evaluation studies of a series of novel non-nucleotidic thioguanine based small molecule inhibitors of ENPP1. The lead compound 43 has shown good in vitro potency, stability in SGF/SIF/PBS, selectivity, ADME properties and pharmacokinetic profile and finally potent anti-tumor response in vivo. These compounds are a good starting point for the development of potentially effective cancer immunotherapy agents.

Lead Optimization and Structure-Activity Relationship Studies on Myeloid Ecotropic Viral Integration Site 1 Inhibitor

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