198488-19-6

Basic information

• Product Name: DIMETHYL 5-(2-CHLORO-ACETYLAMINO)-ISOPHTHALATE
• Synonyms: AKOS B015657;ART-CHEM-BB B015657;DIMETHYL 5-(2-CHLORO-ACETYLAMINO)-ISOPHTHALATE;Dimethyl 5-[(chloroacetyl)amino]isophthalate;ST5411114;ZINC02530995
• CAS NO: 198488-19-6
• Molecular Formula: C₁₂H₁₂ClNO₅
• Molecular Weight: 285.68
• Mol File: 198488-19-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 185-186°C
• Boiling Point: 470.7±45.0 °C(Predicted)
• Appearance: /
• Density: 1.362±0.06 g/cm3(Predicted)
• PKA: 12.03±0.70(Predicted)
• CAS DataBase Reference: DIMETHYL 5-(2-CHLORO-ACETYLAMINO)-ISOPHTHALATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIMETHYL 5-(2-CHLORO-ACETYLAMINO)-ISOPHTHALATE(198488-19-6)
• EPA Substance Registry System: DIMETHYL 5-(2-CHLORO-ACETYLAMINO)-ISOPHTHALATE(198488-19-6)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 198488-19-6(Hazardous Substances Data)

Upstream product

• 99-27-4 dimethyl 5-aminoisophthalate 
• 79-04-9 chloroacetyl chloride 

Downstream Products

• 1345034-53-8 10-acetyldimethyl-5-aminoisophthalate-1,4,7,10-tetraazacyclododecane-1,4,7-triacetate 
• 1345034-50-5 1, 4,7-tris-(tert-butoxycarbonylmethyl)-10-acetyldimethyl-5-aminoisophthalate-1,4,7,10-tetraazacyclododecane 

Relevant articles and documents

New 7-methylguanine derivatives targeting the influenza polymerase PB2 cap-binding domain

The heterotrimeric influenza virus polymerase performs replication and transcription of viral RNA in the nucleus of infected cells. Transcription by "cap-snatching" requires that host-cell pre-mRNAs are bound via their 5′ cap to the PB2 subunit. Thus, the PB2 cap-binding site is potentially a good target for new antiviral drugs that will directly inhibit viral replication. Docking studies using the structure of the PB2 cap-binding domain suggested that 7-alkylguanine derivatives substituted at position N-9 and N-2 could be good candidates. Four series of 7,9-di- and 2,7,9-trialkyl guanine derivatives were synthesized and evaluated by an AlphaScreen assay in competition with a biotinylated cap analogue. Three synthesized compounds display potent in vitro activity with IC50 values lower than 10 μM. High-resolution X-ray structures of three inhibitors in complex with the H5N1 PB2 cap-binding domain confirmed the binding mode and provide detailed information for further compound optimization.

Lanthanide complexes of DOTA monoamide derivatives bearing an isophthalate pendent arm

An isophthalate-bearing DOTA monoamide derivative has been synthesised and used to prepare a family of lanthanide complexes. Luminescence and NMR studies in solution show that the predominant form of the complexes in solution is a mono-capped square antiprism about the lanthanide centre, in which a solvent molecule occupies the ninth coordination site. The crystal structure of the terbium complex is presented and is in close agreement with the solution state data.