ETC-206 (AUM 001) - Moligand™, 10mM in DMSO , Inhibitor of MAPK interacting serine/threonine kinase 1;Inhibitor of MAPK interacting serine/threonine kinase 2, CAS No.1464151-33-4, Inhibitor of MAPK interacting serine/threonine kinase 1;Inhibitor of MAPK interacting serine/threonine kinase 2

CAS: 1464151-33-4 Cat. No.: E421695 Molecular Weight: 408.45

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

HY-112424 | F88611 | AUM001 | AUM-001 | s6658 | MND3WX2R7I | MS-27017 | 4-{6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2- a]pyridin-3-yl}benzonitrile | UNII-MND3WX2R7I | tinodasertib [INN] | compound 48 [PMID: 29683667] | ETC-206 (AUM 001) | M03858 | AKO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

ETC-206 (AUM 001) ETC-206 (AUM 001, ETC-1907206) is an orally available highly selective small-molecule MNK 1/2 inhibitor with IC50s of 64 nM and 86 nM, respectively.

Targets

MNK1 (Cell-free assay); MNK2 (Cell-free assay) 64 nM; 86 nM

Specifications

Synonyms

HY-112424 | F88611 | AUM001 | AUM-001 | s6658 | MND3WX2R7I | MS-27017 | 4-{6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1, 2- a]pyridin-3-yl}benzonitrile | UNII-MND3WX2R7I | tinodasertib [INN] | compound 48 [PMID: 29683667] | ETC-206 (AUM 001) | M03858 | AKO

Specifications & Purity

Moligand™, 10mM in DMSO

Biochemical and Physiological Mechanisms

ETC-206 (AUM 001, ETC-1907206) is an orally available highly selective small-molecule MNK 1/2 inhibitor with IC50s of 64 nM and 86 nM, respectively.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of MAPK interacting serine/threonine kinase 1;Inhibitor of MAPK interacting serine/threonine kinase 2

Product Properties

• ALogP: 3.016
• hba_count: 3
• Rotatable Bond: 3

Names and Identifiers

• Canonical Smiles: C1COCCN1C(=O)C2=CC=C(C=C2)C3=CN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3
• IUPAC Name: 4-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzonitrile
• InChIKey: FWRFPHJSGLYXTD-UHFFFAOYSA-N
• INCHI: 1S/C25H20N4O2/c26-15-18-1-3-20(4-2-18)23-16-27-24-10-9-22(17-29(23)24)19-5-7-21(8-6-19)25(30)28-11-13-31-14-12-28/h1-10,16-17H,11-14H2
• Isomeric SMILES: C1COCCN1C(=O)C2=CC=C(C=C2)C3=CN4C(=NC=C4C5=CC=C(C=C5)C#N)C=C3
• Molecular Weight: 408.45
• Reaxy-Rn: 24007217
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24007217&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Phenylimidazoles Benzamides Morpholine carboxylic acids and derivatives Imidazopyridines Imidazo[1,2-a]pyridines Benzonitriles Benzoyl derivatives N-substituted imidazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Dialkyl ethers Nitriles Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - 5-phenylimidazole - 4-phenylimidazole - Morpholine-4-carboxylic acid or derivatives - Benzamide - Imidazopyridine - Imidazo[1,2-a]pyridine - Benzoic acid or derivatives - Benzonitrile - Benzoyl - N-substituted imidazole - Morpholine - Monocyclic benzene moiety - Oxazinane - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

MKNK2 Tchem MAP kinase-interacting serine/threonine-protein kinase 2 (1 Activities)

Discover Target: MKNK2

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

MKNK1 Tchem MAP kinase-interacting serine/threonine-protein kinase 1 (1 Activities)

Discover Target: MKNK1

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

MKNK2 Tchem MAP kinase signal-integrating kinase 2 (3518 Activities)

Discover Target: MKNK2

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

K562 (73714 Activities)

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

P3HR-1 (52 Activities)

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

PBMC (10003 Activities)

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

MKNK1 Tchem MAP kinase-interacting serine/threonine-protein kinase MNK1 (2071 Activities)

Discover Target: MKNK1

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

MAP2K2 Tclin Dual specificity mitogen-activated protein kinase kinase; MEK1/2 (426 Activities)

Discover Target: MAP2K2

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

DOHH-2 (352 Activities)

Explore this target

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

MKNK2 Tchem MAP kinase-interacting serine/threonine-protein kinase 1/2 (155 Activities)

Discover Target: MKNK2

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

TMD8 (415 Activities)

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 82
• DMSO(mM) Max Solubility: 200.758966825805
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 408.500 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 408.159 Da
• Monoisotopic Mass: 408.159 Da
• Topological Polar Surface Area: 70.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 668.000
• 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