CK2/ERK8-IN-1 - ≥99% , CAS No.1085822-09-8

CAS: 1085822-09-8 Cat. No.: C650431 Molecular Weight: 534.82 PubChem CID: 46943415

GRADE & PURITY ≥99%

Synonyms

GTPL8140 | TMCB | CK2/ERK8-IN-1 | Casein Kinase II Inhibitor VI | 2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid | [4,5,6,7-Tetrabromo-2-(Dimethylamino)-1h-Benzimidazol-1-Yl]acetic Acid | 2-(4,5,6,7-Tetrabromo-2-(dimethylamino)-1H-be

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CK2/ERK8-IN-1 is a dual casein kinase 2 (CK2) ( K i of 0.25 µM) and ERK8 (MAPK15, ERK7) inhibitor with IC 50 s of 0.50 μM. CK2/ERK8-IN-1 also binds to PIM1 , HIPK2 ( homeodomain-interacting protein kinase 2 ), and DYRK1A with K i s of 8.65 µM, 15.25 µM, and 11.9 µM, respectively. CK2/ERK8-IN-1 has pro-apoptotic efficacy

In Vitro

CK2/ERK8-IN-1 (Compound K66; 0-50 µM; 24 hours; Jurkat cells) treatment displays cytotoxic activity in Jurkat cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: Jurkat cells Concentration: 0-50 µM Incubation Time: 24 hours Result: Inhibited cell growth in a dose-dependent manner.

Form:Solid

IC50& Target:CK2 0.5 μM (IC 50 ) CK2 0.25 μM (Ki) ERK8 0.5 μM (IC 50 ) PIM1 8.65 μM (Ki) HIPK2 15.25 μM (Ki) DYRK1A 11.9 μM (Ki) Apoptosis

Specifications

Synonyms

GTPL8140 | TMCB | CK2/ERK8-IN-1 | Casein Kinase II Inhibitor VI | 2-[4, 5, 6, 7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid | [4, 5, 6, 7-Tetrabromo-2-(Dimethylamino)-1h-Benzimidazol-1-Yl]acetic Acid | 2-(4, 5, 6, 7-Tetrabromo-2-(dimethylamino)-1H-be

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

CK2/ERK8-IN-1 is a dual casein kinase 2 (CK2) ( K i of 0.25 µM) and ERK8 (MAPK15, ERK7) inhibitor with IC 50 s of 0.50 μM. CK2/ERK8-IN-1 also binds to PIM1 , HIPK2 ( homeodomain-interacting protein kinase 2 ), and DYRK1A with K i s of 8.65 µM, 15.25 µM, a

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

ACTIVATOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN(C)C1=NC2=C(N1CC(=O)O)C(=C(C(=C2Br)Br)Br)Br
• IUPAC Name: 2-[4,5,6,7-tetrabromo-2-(dimethylamino)benzimidazol-1-yl]acetic acid
• InChIKey: PHAOTASRLQMKBE-UHFFFAOYSA-N
• INCHI: 1S/C11H9Br4N3O2/c1-17(2)11-16-9-7(14)5(12)6(13)8(15)10(9)18(11)3-4(19)20/h3H2,1-2H3,(H,19,20)
• Isomeric SMILES: CN(C)C1=NC2=C(N1CC(=O)O)C(=C(C(=C2Br)Br)Br)Br
• Alternate CAS: 905105-89-7
• PubChem CID: 46943415
• MeSH Entry Terms: (4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzo(d)imidazol-1-yl)acetic acid;4,5,6,7-tetrabromo-2-(dimethylamino)-1H-benzimidazole-1-acetic acid
• Molecular Weight: 534.82

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Benzimidazoles Dialkylarylamines N-substituted imidazoles Benzenoids Aryl bromides Aminoimidazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Benzimidazole - Dialkylarylamine - Aminoimidazole - Aryl bromide - Aryl halide - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azole - Imidazole - Amino acid - Tertiary amine - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Associated Targets(Human)

CSNK2A2 Tchem Casein kinase II subunit alpha' (1 Activities)

Discover Target: CSNK2A2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CSNK2A1 Tchem Casein kinase II subunit alpha (0 Activities)

Discover Target: CSNK2A1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CSNK2A1 Tchem Casein kinase II alpha (3512 Activities)

Discover Target: CSNK2A1

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

CSNK2A2 Tchem Casein kinase II alpha (prime) (1587 Activities)

Discover Target: CSNK2A2

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

LNCaP (8286 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 16.67 mg/mL (31.17 mM; Need ultrasonic)
• Molecular Weight: 534.820 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 534.739 Da
• Monoisotopic Mass: 530.743 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 387.000
• 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