CeMMEC1 - 10mM in DMSO , CAS No.440662-09-9(free)

CAS: 440662-09-9(free) Cat. No.: C580338 Fórmula: C₁₉H₁₆N₂O₄ Peso molecular: 336.34

GRAU & PUREZA 10mM in DMSO

Synonyms

N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

CeMMEC1 is an inhibitor of BRD4 , and also has high affinity for TAF1 , with an IC 50 of 0.9 μM for TAF1, and a K d of 1.8 μM for TAF1 (2).

In Vitro

CeMMEC1 is an inhibitor of BRD4, and also has high affinity for TAF1, with an IC 50 of 0.9 μM for TAF1, and a K d of 1.8 μM for TAF1 (2) and slso shows high affinity for the bromodomains of CREBBP, EP300, BRD9. CeMMEC1 (1, 10, 20 μM) decreases the number of THP1 cells in S phase in a dose manner. CeMMEC1 also induces apoptosis. CeMMEC1 in combination with (S)-JQ1 displays potently impaired cell viability than treatment alone. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Kd: 1.8 μM (TAF1 (2)), IC50: 0.9 μM (TAF1)

Especificações

Sinónimos

N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

CeMMEC1 is an inhibitor of BRD4 , and also has high affinity for TAF1 , with an IC 50 of 0.9 μM for TAF1, and a K d of 1.8 μM for TAF1 (2).

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Nomes e identificadores

Sorrisos canónicos

CN1C=C(C2=CC=CC=C2C1=O)C(=O)NC3=CC4=C(C=C3)OCCO4

IUPAC Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-1-oxoisoquinoline-4-carboxamide

InChIKey

PEOQAZBGLOADFJ-UHFFFAOYSA-N

INCHI

1S/C19H16N2O4/c1-21-11-15(13-4-2-3-5-14(13)19(21)23)18(22)20-12-6-7-16-17(10-12)25-9-8-24-16/h2-7,10-11H,8-9H2,1H3,(H,20,22)

Peso molecular

336.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Benzo-1,4-dioxanes Pyridinecarboxylic acids and derivatives Pyridinones Alkyl aryl ethers Para dioxins Benzenoids Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Benzo-1,4-dioxane - Benzodioxane - Pyridine carboxylic acid or derivatives - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Para-dioxin - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Peso molecular: 336.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 336.111 Da
• Monoisotopic Mass: 336.111 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 576.000
• 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

Perguntas frequentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 440662-09-9(free), the molecular formula is C19H16N2O4, and the molecular weight is 336.34 g/mol. InChIKey PEOQAZBGLOADFJ-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.