MS7972 - ≥99% , CAS No.352553-42-5

CAS: 352553-42-5 Cat. No.: M651920 Fórmula: C₁₄H₁₃NO₂ Peso molecular: 227.26 PubChem CID: 853608

GRAU & PUREZA ≥99%

Synonyms

9-Acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

MS7972 is a small molecule that blocks human p53 and CREB binding protein association. MS7972 can almost completely block this BRD interaction at 50 μM.

In Vitro

Addition of MS7972 to the CBP BRD results in emission at 445 nm and quenching of the CBP BRD due to resonance energy transfer. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Especificações

Sinónimos

9-Acetyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

MS7972 is a small molecule that blocks human p53 and CREB binding protein association. MS7972 can almost completely block this BRD interaction at 50 μM.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Pureza

≥99%

Nomes e identificadores

Sorrisos canónicos

CC(=O)N1C2=CC=CC=C2C3=C1C(=O)CCC3

IUPAC Name

9-acetyl-3,4-dihydro-2H-carbazol-1-one

InChIKey

MIGJEXKBUJPKJF-UHFFFAOYSA-N

INCHI

1S/C14H13NO2/c1-9(16)15-12-7-3-2-5-10(12)11-6-4-8-13(17)14(11)15/h2-3,5,7H,4,6,8H2,1H3

SMILES isoméricas

CC(=O)N1C2=CC=CC=C2C3=C1C(=O)CCC3

PubChem CID

853608

Peso molecular

227.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbazoles
• Alternative Parents: 3-alkylindoles Aryl alkyl ketones Substituted pyrroles Benzenoids Heteroaromatic compounds Acetamides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbazole - 3-alkylindole - Indole - Aryl alkyl ketone - Aryl ketone - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Acetamide - Ketone - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
• 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

Alvos associados (humanos)

CREBBP Tchem CREB-binding protein (1602 Activities)

Discover Target: CREBBP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (440.02 mM; Need ultrasonic)
• Peso molecular: 227.260 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 227.095 Da
• Monoisotopic Mass: 227.095 Da
• Topological Polar Surface Area: 39.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 352.000
• 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