4-Bromo-N-(4-bromophenyl)-3-[[(phenylmethyl)amino]sulfonyl]benzamide - ≥98%(HPLC) , CAS No.312756-74-4

CAS: 312756-74-4 Cat. No.: B137570 Molecular Weight: 524.23 EC Number: 683-710-9

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-[(benzylamino)sulfonyl]-4-bromo-N-(4-bromophenyl)benzamide | AC-35367 | 3-(N-Benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide | HY-19793 | 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide | J46 | Oprea1_166111 | EU-0034229 | Benzamide, 4-bromo-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-[(benzylamino)sulfonyl]-4-bromo-N-(4-bromophenyl)benzamide | AC-35367 | 3-(N-Benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide | HY-19793 | 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide | J46 | Oprea1_166111 | EU-0034229 | Benzamide, 4-bromo-

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

RAD51-Stimulatory Compound-1, RS-1 is a cell-permeable sulfonamido-benzamide compound which acts as an allosteric effector of active human RAD51 filament structure and stimulates DNA binding and recombination activities of hRAD51 protein. RS-1 is shown to

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504760367
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760367
• Canonical Smiles: C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)Br
• IUPAC Name: 3-(benzylsulfamoyl)-4-bromo-N-(4-bromophenyl)benzamide
• InChIKey: SWKAVEUTKGKHSR-UHFFFAOYSA-N
• INCHI: 1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
• Isomeric SMILES: C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)Br)Br
• WGK Germany: 3
• Molecular Weight: 524.23
• Reaxy-Rn: 26855890
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26855890&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: 4-halobenzoic acids and derivatives Benzenesulfonamides Benzamides Benzenesulfonyl compounds Benzoyl derivatives Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Secondary carboxylic acid amides Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzenesulfonamide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Bromobenzene - Halobenzene - Organosulfonic acid amide - Aryl halide - Aryl bromide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organosulfur compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

Discover Target: PTH1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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SNCA Tchem Alpha-synuclein (10960 Activities)

Discover Target: SNCA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

Discover Target: SMAD3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ATXN2 Tbio Ataxin-2 (54410 Activities)

Discover Target: ATXN2

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Associated Targets(non-human)

Cruzipain (33337 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO (≥10 mg/ml), and ethanol.
• Sensitivity: Air Sensitive,Moisture Sensitive,Heat Sensitive
• Melt Point(°C): 208 °C
• Molecular Weight: 524.200 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 523.923 Da
• Monoisotopic Mass: 521.925 Da
• Topological Polar Surface Area: 83.700 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 611.000
• 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