STL127705 - Moligand™,≥98% , CAS No.1326852-06-5

CAS: 1326852-06-5 Cat. No.: S646275 Fórmula: C₂₂H₂₀FN₅O₄ Peso molecular: 437.42 PubChem CID: 53333307

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

STL127705 (Compound L) is a potent Ku 70/80 heterodimer protein inhibitor with an IC 50 of 3.5 μM. STL127705 interferes the binding of Ku70/80 to DNA and by inhibits the activation of the DNA-PKCS kinase. STL127705 shows antiproliferative and anticancer activity. STL127705 induces apoptosis

In Vitro

STL127705 (Compound L) (0-100 µM) inhibits binding of Ku70/80 to a DNA substrate and inhibits Ku-dependent activation of the DNA-PKCS kinase. antiproliferative activity (0-100 µM; 6h) decreases the expression of DNA-PKCS auto-phosphorylation in SF-767 cells. STL127705 (0-40 µM; 6h) shows antiproliferative activity in a dose dependent manner. TL127705 (1 µM; 48 h) significantly promotes apoptotic when combination with gemcitabine. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: SF-767, PrEC cells Concentration: 0-40 µM Incubation Time: 6 h Result: Showed cytotoxicity in a dose dependent manner. Western Blot AnalysisCell Line: SF-767 cells Concentration: 0-100 µM Incubation Time: pre-treated for 2 h and then co-incubation 4 h Result: Decreased the DNA-PKCS autophosphorylation but total DNA-PKCS was not suppressed by STL127705. Apoptosis AnalysisCell Line: H1299 cells Concentration: 1 µM Incubation Time: 48 h Result: Induced apoptosis with apoptosis rate significantly increased to 76% when treated with STL127705 in combination with gemcitabine.

Form:Solid

Specifications

Especificaciones y pureza

Moligand™,≥98%

Mecanismos bioquímicos y fisiológicos

STL127705 (Compound L) is a potent Ku 70/80 heterodimer protein inhibitor with an IC 50 of 3.5 μM. STL127705 interferes the binding of Ku70/80 to DNA and by inhibits the activation of the DNA-PKCS kinase. STL127705 shows antiproliferative and anticancer a

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)CCNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC(=CC=C4)F)OC
• IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)ethylamino]-6-(3-fluorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione
• InChIKey: FPVFCXYTLUJPQJ-UHFFFAOYSA-N
• INCHI: 1S/C22H20FN5O4/c1-31-17-7-6-13(10-18(17)32-2)8-9-24-21-25-12-16-19(26-21)27-22(30)28(20(16)29)15-5-3-4-14(23)11-15/h3-7,10-12H,8-9H2,1-2H3,(H2,24,25,26,27,30)
• Isómeros SMILES: COC1=C(C=C(C=C1)CCNC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC(=CC=C4)F)OC
• PubChem CID: 53333307
• Peso molecular: 437.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Pyrimidones Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Amines Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Pyrimidone - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Organoheterocyclic compound - Ether - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 2.4 mg/mL (5.49 mM; Need ultrasonic) H2O : <0.1 mg/mL (ultrasonic) (insoluble) STL127705 is usually formulated as a suspension.
• Sensibilidad: Moisture sensitive
• Peso molecular: 437.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 437.15 Da
• Monoisotopic Mass: 437.15 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 670.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% 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 1326852-06-5, the molecular formula is C22H20FN5O4, and the molecular weight is 437.42 g/mol. InChIKey FPVFCXYTLUJPQJ-UHFFFAOYSA-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.