GSK9311 - Moligand™,≥99% , CAS No.1923851-49-3

CAS: 1923851-49-3 Cat. No.: G646258 Formula: C₂₄H₃₁N₅O₃ Peso molecolare: 437.53

GRADE & PURITY Moligand™, ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

GSK9311, a less active analogue of GSK6853, can be used as a negative control. GSK9311 inhibits BRPF bromodomain with pIC 50 values of 6.0 and 4.3 for BRPF1 and BRPF2 , respectively

In Vitro

GSK6853 is a potent (300 pM), soluble, cell active (20 nM), and highly selective inhibitor of the BRPF1 bromodomain, and demonstrates properties suitable for cellular and in vivo studies. GSK6853 is a less active analogue of GSK6853 in which the 5-amide is alkylated. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:BRPF1 6.0 (pIC 50 ) BRPF2 4.3 (pIC 50 )

Specifications

Specifiche e purezza

Moligand™,≥99%

Meccanismi biochimici e fisiologici

GSK9311, a less active analogue of GSK6853, can be used as a negative control. GSK9311 inhibits BRPF bromodomain with pIC 50 values of 6.0 and 4.3 for BRPF1 and BRPF2 , respectively.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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

Grado

Moligand™

Tipo di azione

INHIBITOR

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: CCN(C1=C(C=C2C(=C1)N(C(=O)N2C)C)N3CCNCC3C)C(=O)C4=CC=CC=C4OC
• IUPAC Name: N-[1,3-dimethyl-6-[(2R)-2-methylpiperazin-1-yl]-2-oxobenzimidazol-5-yl]-N-ethyl-2-methoxybenzamide
• InChIKey: WFXIHQFRQPGCCR-MRXNPFEDSA-N
• INCHI: 1S/C24H31N5O3/c1-6-28(23(30)17-9-7-8-10-22(17)32-5)20-13-18-19(27(4)24(31)26(18)3)14-21(20)29-12-11-25-15-16(29)2/h7-10,13-14,16,25H,6,11-12,15H2,1-5H3/t16-/m1/s1
• Isomeri SMILES: CCN(C1=C(C=C2C(=C1)N(C(=O)N2C)C)N3CCNC[C@H]3C)C(=O)C4=CC=CC=C4OC
• CAS alternativo: 2253733-09-2
• Peso molecolare: 437.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Benzamides Benzimidazoles Anisoles Phenoxy compounds Methoxybenzenes Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Amino acids and derivatives Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Benzamide - Benzimidazole - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Tertiary carboxylic acid amide - Azole - Imidazole - Heteroaromatic compound - Tertiary amine - Carboxamide group - Amino acid or derivatives - Urea - Secondary amine - Azacycle - Ether - Secondary aliphatic amine - Carboxylic acid derivative - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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)

BRPF1 Tchem Peregrin (1 Activities)

Discover Target: BRPF1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BRD1 Tchem Bromodomain-containing protein 1 (256 Activities)

Discover Target: BRD1

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

BRPF1 Tchem Peregrin (2217 Activities)

Discover Target: BRPF1

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

Obiettivi associati (non umani)

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

• Solubilità: DMSO : 100 mg/mL (228.56 mM; Need ultrasonic)
• Sensibilità: Moisture sensitive
• Peso molecolare: 437.500 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 437.243 Da
• Monoisotopic Mass: 437.243 Da
• Topological Polar Surface Area: 68.400 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 691.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1923851-49-3, the molecular formula is C24H31N5O3, and the molecular weight is 437.53 g/mol. InChIKey WFXIHQFRQPGCCR-MRXNPFEDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.