BRD32048 - Moligand™,≥99% , CAS No.433694-46-3

CAS: 433694-46-3 Cat. No.: B650265 Peso molecular: 314.39 PubChem CID: 704129

GRADE & PURITY Moligand™, ≥99%

Synonyms

BRD32048 | 1,3,5-Triazine-2,4-diamine,N2-(4-methoxyphenyl)-6-(1-piperidinylmethyl)- | ETV1directbinder,DNA | RNASynthesis,ETV1perturbagen,transcriptionfactor,acetylation,Inhibitor,BRD32048,degradation,inhibit | N2-(4-Methoxyphenyl)-6-(piperidin-1-ylmethyl

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Descripción general

BRD32048 is a direct binder of ETV1 with a K D of 17.1 μM. BRD32048 modulates both ETV1-mediated transcriptional activity and invasion of ETV1-driven cancer cells. BRD32048 inhibits ETV1 acetylation and promotes its degradation. BRD32048 acts as a top candidate ETV1 perturbagen.

Form:Solid

Specifications

Sinónimos

BRD32048 | 1, 3, 5-Triazine-2, 4-diamine, N2-(4-methoxyphenyl)-6-(1-piperidinylmethyl)- | ETV1directbinder, DNA | RNASynthesis, ETV1perturbagen, transcriptionfactor, acetylation, Inhibitor, BRD32048, degradation, inhibit | N2-(4-Methoxyphenyl)-6-(piperidin-1-ylmethyl

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

BRD32048 is a direct binder of ETV1 with a K D of 17.1 μM. BRD32048 modulates both ETV1-mediated transcriptional activity and invasion of ETV1-driven cancer cells. BRD32048 inhibits ETV1 acetylation and promotes its degradation. BRD32048 acts as a top can

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Protected from light, Argon charged

Enviado en

Wet ice

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

≥99%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCC3
• IUPAC Name: 2-N-(4-methoxyphenyl)-6-(piperidin-1-ylmethyl)-1,3,5-triazine-2,4-diamine
• InChIKey: PVHJDJWPRZUURH-UHFFFAOYSA-N
• INCHI: 1S/C16H22N6O/c1-23-13-7-5-12(6-8-13)18-16-20-14(19-15(17)21-16)11-22-9-3-2-4-10-22/h5-8H,2-4,9-11H2,1H3,(H3,17,18,19,20,21)
• Isómeros SMILES: COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCC3
• PubChem CID: 704129
• Peso molecular: 314.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyanilines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles 1,3,5-triazine-2,4-diamines Aralkylamines Alkyl aryl ethers Piperidines 1,3,5-triazines Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methoxyaniline - Phenoxy compound - 2,4-diamine-s-triazine - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Amino-1,3,5-triazine - Aminotriazine - Aralkylamine - 1,3,5-triazine - Piperidine - Triazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Organoheterocyclic compound - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Primary amine - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy 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

Propiedades químicas y físicas

• Solubilidad: DMSO : 125 mg/mL (397.60 mM; Need ultrasonic)
• Sensibilidad: light sensitive
• Peso molecular: 314.390 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 314.186 Da
• Monoisotopic Mass: 314.186 Da
• Topological Polar Surface Area: 89.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 343.000
• 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