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52029-86-4

52029-86-4 Structure

52029-86-4 Structure
IdentificationBack Directory
[Name]

7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE
[CAS]

52029-86-4
[Synonyms]

STO-609
STO-609, >98%
STO609;STO 609
STO-609 ACETATE
STO-609 free base
STO-609 ACETIC ACID
STO-609 - CAS 52029-86-4 - Calbiochem
7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic Acid
7H-Benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic acid, 7-oxo-
7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE
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 - acetic acid
[Molecular Formula]

C19H10N2O3
[MDL Number]

MFCD06411456
[MOL File]

52029-86-4.mol
[Molecular Weight]

314.29
Chemical PropertiesBack Directory
[Melting point ]

>300 °C
[Boiling point ]

716.9±62.0 °C(Predicted)
[density ]

1.54±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

DMSO: 15 mg/mL at ≥60 °C
[form ]

solid
[pka]

2.65±0.20(Predicted)
[color ]

Light yellow to yellow
[InChI]

1S/C19H10N2O3/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/h1-9H,(H,23,24)
[InChIKey]

MYKOWOGZBMOVBJ-UHFFFAOYSA-N
Safety DataBack Directory
[Safety Statements ]

22-24/25
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

7-Oxo-7H-benzimidazo[2,1-a]benz[de]isoquinoline-3-carboxylic Acid is a calcium/calmodulin-dependent protein kinase inhibitor and was found to upregulate various AhR target genes in human macrophages.
[Definition]

ChEBI: LSM-3164 is a naphthoic acid.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

7-OXO-7H-BENZIMIDAZO[2,1-A]BENZ[DE]ISOQUINOLINE-3-CARBOXYLIC ACID ACETATE(52029-86-4)1HNMR
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