52029-86-4

Basic information

• Product Name: 7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE
• Synonyms: 7H-BENZ[DE]BENZIMIDAZO[2,1-A]ISOQUINOLINE-7-ONE-3-CARBOXYLIC ACID, ACETATE;7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE;STO-609;STO-609 ACETATE;STO-609 ACETIC ACID;7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid - acetic acid;7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic Acid
• CAS NO: 52029-86-4
• Molecular Formula: C21H14N2O5
• Molecular Weight: 374.35
• Product Categories: Protein Kinase
• Mol File: 52029-86-4.mol
• Article Data: 0

Chemical Properties

• Melting Point: >300 °C
• Boiling Point: 797.3°C at 760 mmHg
• Flash Point: 436°C
• Appearance: /solid
• Density: 1.54±0.1 g/cm3(Predicted)
• Vapor Pressure: 8.13E-27mmHg at 25°C
• Storage Temp.: 2-8°C
• Solubility: DMSO: 15 mg/mL at ≥60 °C
• PKA: 2.65±0.20(Predicted)
• CAS DataBase Reference: 7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE(CAS DataBase Reference)
• NIST Chemistry Reference: 7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE(52029-86-4)
• EPA Substance Registry System: 7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE(52029-86-4)

Safety Data

• Safety Statements: 22-24/25
• WGK Germany: 3
• Hazardous Substances Data: 52029-86-4(Hazardous Substances Data)

Usage

Description

7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE is a complex organic compound with a unique chemical structure. It is characterized by its ability to act as a calcium/calmodulin-dependent protein kinase inhibitor, which plays a significant role in various cellular processes.

Uses

Used in Pharmaceutical Industry:
7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE is used as a pharmaceutical compound for its potential therapeutic applications. It is particularly noted for its ability to inhibit calcium/calmodulin-dependent protein kinase, which is involved in various cellular processes and may contribute to the development of certain diseases.
Used in Research Applications:
In the field of research, 7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE is used as a research tool to study the role of calcium/calmodulin-dependent protein kinase in cellular processes. Its ability to upregulate various AhR target genes in human macrophages makes it a valuable compound for investigating the mechanisms underlying immune responses and other related cellular functions.
Used in Drug Development:
7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE may also be utilized in the development of new drugs targeting calcium/calmodulin-dependent protein kinase. By understanding its interactions with this enzyme, researchers can potentially design more effective therapeutic agents for treating diseases associated with the dysregulation of this protein kinase.

Biological Activity

Selective, cell-permeable inhibitor of Ca 2+ -calmodulin-dependent protein kinase kinase (K i values are 80 and 15 ng/ml for inhibition of CaM-KK α and CaM-KK β respectively); competes for the ATP-binding site. Displays > 80-fold selectivity over CaMK1, CaMK2, CaMK4, MLCK, PKC, PKA and p42 MAPK.

InChI:InChI=1/C19H10N2O3.C2H4O2/c22-18-13-5-3-4-10-11(19(23)24)8-9-12(16(10)13)17-20-14-6-1-2-7-15(14)21(17)18;1-2(3)4/h1-9H,(H,23,24);1H3,(H,3,4)