AK-7 - 10mM in DMSO , CAS No.420831-40-9

CAS: 420831-40-9 Cat. No.: A423904 Formula: C₁₉H₂₁BrN₂O₃S Peso molecolare: 437.35 Numero EC: 695-492-2

GRADE & PURITY 10mM in DMSO

Synonyms

BS-16806 | C19H21BrN2O3S | HMS3886F07 | MLS006011706 | Q27255930 | AK 7 | EU-0004902 | DTXSID30194926 | SCHEMBL1095726 | Z27789153 | AK-7 | HMS3740I05 | N-(3-Bromophenyl)-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzamide | SR-01000432494-1 | AKOS001632674 |

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

AK-7 is a selective cell- and brain-permeable SIRT2 inhibitor, with an IC50 of 15.5 μM.

Specifications

Sinonimi

BS-16806 | C19H21BrN2O3S | HMS3886F07 | MLS006011706 | Q27255930 | AK 7 | EU-0004902 | DTXSID30194926 | SCHEMBL1095726 | Z27789153 | AK-7 | HMS3740I05 | N-(3-Bromophenyl)-3-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzamide | SR-01000432494-1 | AKOS001632674 |

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Selective SIRT2 inhibitor (IC 50 = 15.5 μM). Reduces neuronal cholesterol. Neuroprotective activity in vivo . Centrally active.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Nomi e identificatori

• Pubchem Sid: 528763065
• Sorrisi canonici: C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br
• IUPAC Name: 3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
• InChIKey: IYAYHZZWYNXHEQ-UHFFFAOYSA-N
• INCHI: 1S/C19H21BrN2O3S/c20-16-8-6-9-17(14-16)21-19(23)15-7-5-10-18(13-15)26(24,25)22-11-3-1-2-4-12-22/h5-10,13-14H,1-4,11-12H2,(H,21,23)
• Isomeri SMILES: C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=CC(=CC=C3)Br
• Peso molecolare: 437.35
• Reaxy-Rn: 15608200
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15608200&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Obiettivi associati (umani)

MCF7 (126967 Activities)

Explore this target

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

SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)

Discover Target: SIRT3

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

SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)

Discover Target: SIRT2

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

SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)

Discover Target: SIRT1

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

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 437.400 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 436.046 Da
• Monoisotopic Mass: 436.046 Da
• Topological Polar Surface Area: 74.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 570.000
• 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