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

CAS: 2117405-13-5 Cat. No.: S648491 Molecular Weight: 338.38 EC Number: 821-054-9 PubChem CID: 91618245

GRADE & PURITY 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

Overview

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

Specifications

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) |

Specifications & Purity

Moligand™, ≥97%

Biochemical and Physiological Mechanisms

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

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.

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CN1C=NN=C1C2CCN(CC2)C3=C(C=CC=N3)C4=CN=C(C=C4)F
• Alternate CAS: 2117405-13-5
• PubChem CID: 91618245
• Molecular Weight: 338.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 33.33 mg/mL (98.50 mM; Need ultrasonic)
• Molecular Weight: 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