TMCB - Moligand™, ≥98% , Inhibitor of casein kinase 2; alpha 1 polypeptide subunit;Inhibitor of casein kinase 2; alpha prime polypeptide subunit, CAS No.905105-89-7, Inhibitor of casein kinase 2; alpha 1 polypeptide subunit;Inhibitor of casein kinase 2; alpha prime polypeptide subunit

CAS: 905105-89-7 Cat. No.: T275633 Molecular Weight: 534.82 PubChem CID: 46943415

GRADE & PURITY Moligand™, ≥98%

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

Room temperature

Shipped In

Normal

Overview

Store at Room Temperature. The product can be stored for up to 12 months.

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

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

CK2 inhibitor (K i = 0.25 μM), more selective than DMAT. Unlike DMAT, TMCB displays selectivity over PIM1, HIPK2 and DYRK1a (K i values are 8.65, 15.25 and 11.90 μM, respectively) and a more favourable selectivity profile over a range of other kinases.

Storage

Room temperature

Shipped In

Normal

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of casein kinase 2; alpha 1 polypeptide subunit;Inhibitor of casein kinase 2; alpha prime polypeptide subunit

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

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
• PubChem CID: 46943415
• 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' (2 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 (1 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: Soluble in DMSO to 25 mM (with heating)
• 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