ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate

Modify Date: 2025-09-18 19:27:49

ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate Structure
ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate structure
Common Name ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate
CAS Number 89369-45-9 Molecular Weight 362.40000
Density 1.376g/cm3 Boiling Point N/A
Molecular Formula C17H18N2O5S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name ethyl 2-[[2-(methanesulfonamido)benzoyl]amino]benzoate

 Chemical & Physical Properties

Density 1.376g/cm3
Molecular Formula C17H18N2O5S
Molecular Weight 362.40000
Exact Mass 362.09400
PSA 113.44000
LogP 4.02490
Index of Refraction 1.622
InChIKey MHDUPYHBAPIONE-UHFFFAOYSA-N
SMILES CCOC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O

 Synthetic Route

~59%

ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate Structure

ethyl 2-[[2-[(m...

CAS#:89369-45-9

Literature: Wadell, Göran; Edlund, Karin; Strand, Marten; Andersson, Emma; Öberg, Christopher; Elofsson, Mikael; Mei, Ya-Fang Patent: US2013/210915 A1, 2013 ; Location in patent: Paragraph 0252; 0253 ;

~%

ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate Structure

ethyl 2-[[2-[(m...

CAS#:89369-45-9

Literature: WADELL, Goeran; EDLUND, Karin; STRAND, Maarten; ANDERSSON, Emma; OeBERG, Christopher; ELOFSSON, Mikael; MEI, Ya-Fang Patent: WO2011/155898 A1, 2011 ;

~%

ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate Structure

ethyl 2-[[2-[(m...

CAS#:89369-45-9

Literature: WADELL, Goeran; EDLUND, Karin; STRAND, Maarten; ANDERSSON, Emma; OeBERG, Christopher; ELOFSSON, Mikael; MEI, Ya-Fang Patent: WO2011/155898 A1, 2011 ;

~%

ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate Structure

ethyl 2-[[2-[(m...

CAS#:89369-45-9

Literature: WADELL, Goeran; EDLUND, Karin; STRAND, Maarten; ANDERSSON, Emma; OeBERG, Christopher; ELOFSSON, Mikael; MEI, Ya-Fang Patent: WO2011/155898 A1, 2011 ;

~%

ethyl 2-[[2-[(methylsulphonyl)amino]benzoyl]amino]benzoate Structure

ethyl 2-[[2-[(m...

CAS#:89369-45-9

Literature: Oeberg, Christopher T.; Strand, Marten; Andersson, Emma K.; Edlund, Karin; Tran, Nam Phuong Nguyen; Mei, Ya-Fang; Wadell, Goeran; Elofsson, Mikael Journal of Medicinal Chemistry, 2012 , vol. 55, # 7 p. 3170 - 3181

 Bioassay

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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: Absorbance-based primary biochemical high throughput screening assay to identify acti...
Source: The Scripps Research Institute Molecular Screening Center
Target: caspase-3 preproprotein [Homo sapiens]
External Id: PROCASPASE3_ACT_EPIABS_1536_1X%ACT PRUN
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