MCL-1/BCL-2-IN-2 - ≥99% , CAS No.2163793-44-8

CAS: 2163793-44-8 Cat. No.: M651021 Molecular Weight: 427.31 PubChem CID: 145712376

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

MCL-1/BCL-2-IN-2 (Compound 6) is a potent and selective Mcl-1 and Bcl-2 dual inhibitor.

Form:Solid

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

MCL-1/BCL-2-IN-2 (Compound 6) is a potent and selective Mcl-1 and Bcl-2 dual inhibitor.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCN)SC4=CC=C(C=C4)Br
• IUPAC Name: 2-(2-aminoethyl)-6-(4-bromophenyl)sulfanylbenzo[de]isoquinoline-1,3-dione
• InChIKey: LPOALFWTLPKKNW-UHFFFAOYSA-N
• INCHI: 1S/C20H15BrN2O2S/c21-12-4-6-13(7-5-12)26-17-9-8-16-18-14(17)2-1-3-15(18)19(24)23(11-10-22)20(16)25/h1-9H,10-11,22H2
• PubChem CID: 145712376
• Molecular Weight: 427.31

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Diarylthioethers Naphthalenes Thiophenol ethers Bromobenzenes Pyridines and derivatives N-substituted carboxylic acid imides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - Isoquinolone - Naphthalene - Aryl thioether - Thiophenol ether - Halobenzene - Bromobenzene - Benzenoid - Pyridine - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid imide - Azacycle - Thioether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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 : 5 mg/mL (11.70 mM; ultrasonic and warming and heat to 60°C)