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· · COA & SDS available for every product · Same-day shipping on in-stock items ML161 - ≥98% , CAS No.423735-93-7
Synonyms
Cambridge id 5946339 | SR-01000224080 | BRD-K59036917-001-07-6 | MLS002699906 | NCGC00371123-09 | AG-670/40910903 | 2-BROMO-N-(3-BUTANAMIDOPHENYL)BENZAMIDE | 2-bromo-N-[3-(butanoylamino)phenyl]benzamide | C17H17BrN2O2 | ML161 | SW219764-1 | ML 161 | SR-01
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview ML-161 is an allosteric inhibitor of PAR1 with IC50 of 0.26 μM.
Specifications Synonyms
Cambridge id 5946339 | SR-01000224080 | BRD-K59036917-001-07-6 | MLS002699906 | NCGC00371123-09 | AG-670/40910903 | 2-BROMO-N-(3-BUTANAMIDOPHENYL)BENZAMIDE | 2-bromo-N-[3-(butanoylamino)phenyl]benzamide | C17H17BrN2O2 | ML161 | SW219764-1 | ML 161 | SR-01
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Inhibitor of protease-activated receptor 1 (PAR1)-mediated platelet activation (IC50= 0.26μM for the inhibition of platelet P-selectin expression on human platelets). Thought to act allosterically. Also inhibits thrombin-induced platelet activation.
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br IUPAC Name 2-bromo-N-[3-(butanoylamino)phenyl]benzamide InChIKey DFOVLSMXPWPCFH-UHFFFAOYSA-N INCHI 1S/C17H17BrN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22) Isomeric SMILES CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br WGK Germany 3 Molecular Weight 361.23 Reaxy-Rn 22413221 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22413221&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Anilides Intermediate Tree Nodes Aromatic anilides Direct Parent Benzanilides Alternative Parents 2-halobenzoic acids and derivatives Benzamides N-arylamides Benzoyl derivatives Bromobenzenes Fatty amides Aryl bromides Vinylogous halides Secondary carboxylic acid amides Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents Benzanilide - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - N-arylamide - Benzoyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Fatty acyl - Fatty amide - Vinylogous halide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 36.12, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 36.12, Max Conc. mM: 100 Molecular Weight 361.200 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2 Rotatable Bond Count 5 Exact Mass 360.047 Da Monoisotopic Mass 360.047 Da Topological Polar Surface Area 58.200 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 389.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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