SEN177 - Moligand™,≥97% , CAS No.2117405-13-5

CAS: 2117405-13-5 Cat. No.: S648491 Fórmula: C₁₈H₁₉FN₆ Peso molecular: 338.38 Número CE: 821-054-9 PubChem CID: 91618245

GRAU & PUREZA Moligand™, ≥97%

Synonyms

2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine | BDBM50519291 | s77 | SEN177 | 2-luoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine | SCHEMBL22736849 | EN300-1700016 | SEN177, >=98% (HPLC) |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

SEN177 is a potent glutaminyl cyclase (QPCT) inhibitor with an IC 50 of 0.013μM for glutaminyl-peptide cyclotransferase-like (QPCTL). SEN177 has a K i of 20 nM for human glutaminyl cyclase (hQC). SEN177 greatly reduces the early stages of mutant HTT oligomerisation and reduces the percentage of neurons with Q80 aggregates. SEN177 has the potential for Huntington’s disease research.

Form:Solid

Especificações

Sinónimos

2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine | BDBM50519291 | s77 | SEN177 | 2-luoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine | SCHEMBL22736849 | EN300-1700016 | SEN177, >=98% (HPLC) |

Especificações e pureza

Moligand™,≥97%

Mecanismos bioquímicos e fisiológicos

SEN177 is a potent glutaminyl cyclase (QPCT) inhibitor with an IC 50 of 0.013μM for glutaminyl-peptide cyclotransferase-like (QPCTL). SEN177 has a K i of 20 nM for human glutaminyl cyclase (hQC). SEN177 greatly reduces the early stages of mutant HTT oligo

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥97%

Nomes e identificadores

Sorrisos canónicos

CN1C=NN=C1C2CCN(CC2)C3=C(C=CC=N3)C4=CN=C(C=C4)F

IUPAC Name

2-fluoro-5-[2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridin-3-yl]pyridine

InChIKey

AJIAMIPUWJQSPR-UHFFFAOYSA-N

INCHI

1S/C18H19FN6/c1-24-12-22-23-17(24)13-6-9-25(10-7-13)18-15(3-2-8-20-18)14-4-5-16(19)21-11-14/h2-5,8,11-13H,6-7,9-10H2,1H3

SMILES isoméricas

CN1C=NN=C1C2CCN(CC2)C3=C(C=CC=N3)C4=CN=C(C=C4)F

CAS alternativo

2117405-13-5

PubChem CID

91618245

Peso molecular

338.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Dialkylarylamines Aminopyridines and derivatives 2-halopyridines Piperidines Imidolactams Aryl fluorides Triazoles Heteroaromatic compounds Azacyclic compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Dialkylarylamine - Aminopyridine - 2-halopyridine - Aryl fluoride - Aryl halide - Piperidine - Imidolactam - Azole - 1,2,4-triazole - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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

Alvos associados (humanos)

QPCT Tchem Glutaminyl-peptide cyclotransferase (1 Activities)

Discover Target: QPCT

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

NCI-H1975 (4994 Activities)

Explore this target

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

A549 (127892 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 33.33 mg/mL (98.50 mM; Need ultrasonic)
• Peso molecular: 338.400 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 338.166 Da
• Monoisotopic Mass: 338.166 Da
• Topological Polar Surface Area: 59.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 430.000
• 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