AKN-028 - Moligand™ , Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase, CAS No.1175017-90-9, Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase

CAS: 1175017-90-9 Cat. No.: A607474 PubChem CID: 44177328

GRADE & PURITY Moligand™

Synonyms

AKN028 | AKN-028 | Y66IS3CS0R | AKOS040756521 | 2,3-Pyrazinediamine, N3-1H-indol-5-yl-5-(4-pyridinyl)- | 1175017-90-9 | UNII-Y66IS3CS0R | DB12746 | N2-(1H-Indol-5-yl)-6-(pyridin-4-yl)pyrazine-2,3-diamine | 3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-di

Storage

Room temperature

Specifications

Synonyme

AKN028 | AKN-028 | Y66IS3CS0R | AKOS040756521 | 2,3-Pyrazinediamine, N3-1H-indol-5-yl-5-(4-pyridinyl)- | 1175017-90-9 | UNII-Y66IS3CS0R | DB12746 | N2-(1H-Indol-5-yl)-6-(pyridin-4-yl)pyrazine-2,3-diamine | 3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-di

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of KIT proto-oncogene; receptor tyrosine kinase

Namen und Kennungen

• Kanonisches Lächeln: Nc1ncc(nc1Nc1ccc2c(c1)cc[nH]2)c1ccncc1
• IUPAC Name: 3-N-(1H-indol-5-yl)-5-pyridin-4-ylpyrazine-2,3-diamine
• InChIKey: JLRIJKVMMZEKDF-UHFFFAOYSA-N
• INCHI: 1S/C17H14N6/c18-16-17(22-13-1-2-14-12(9-13)5-8-20-14)23-15(10-21-16)11-3-6-19-7-4-11/h1-10,20H,(H2,18,21)(H,22,23)
• Isomere SMILES: C1=CC2=C(C=CN2)C=C1NC3=NC(=CN=C3N)C4=CC=NC=C4
• PubChem CID: 44177328

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Aminopyrazines Pyridines and derivatives Imidolactams Benzenoids Pyrroles Heteroaromatic compounds Secondary amines Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aminopyrazine - Pyrazine - Imidolactam - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Azacycle - Secondary amine - Primary amine - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Zugehörige Ziele (menschlich)

FLT3 Tclin Receptor-type tyrosine-protein kinase FLT3 (1 Activities)

Discover Target: FLT3

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

KIT Tclin Mast/stem cell growth factor receptor Kit (1 Activities)

Discover Target: KIT

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 302.330 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 302.128 Da
• Monoisotopic Mass: 302.128 Da
• Topological Polar Surface Area: 92.500 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 385.000
• 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