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

CAS: 433694-46-3 Cat. No.: B650265 Molecular Weight: 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

Overview

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

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

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

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

Storage

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

Shipped In

Wet ice

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCC3
• PubChem CID: 704129
• Molecular Weight: 314.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: DMSO : 125 mg/mL (397.60 mM; Need ultrasonic)
• Sensitivity: light sensitive
• Molecular Weight: 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