JNJ-46281222 - ≥98% , CAS No.1254980-38-5

CAS: 1254980-38-5 Cat. No.: J647807 Formula: C₂₃H₂₅F₃N₄ Peso molecolare: 414.47 PubChem CID: 49822115

QUALITÀ & PUREZZA ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

JNJ-46281222 is an metabotropic glutamate (mGlu) 2 -selective, highly potent PAM (positive allosteric modulator) with nanomolar affinity ( K d = 1.7 nM) and a high modulatory potency ( pEC 50 = 7.71)

In Vitro

JNJ‐4628122 binds to the selected mGlu2 receptor mutants is significantly decreased by approximately 10‐fold compared with WT, in transfected mGlu2 WT and mutant receptors in CHO‐K1 cells, mutations F643A and N735D are selected. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Western Blot AnalysisCell Line: CHO‐K1 cells Concentration: Incubation Time: Result: Showed a decreased expression of mGlu2 receptor in mutant cells.

Form:Solid

IC50& Target:mGluR2 1.7 nM (Kd)

Specifiche

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

JNJ-46281222 is an metabotropic glutamate (mGlu) 2 -selective, highly potent PAM (positive allosteric modulator) with nanomolar affinity ( K d = 1.7 nM) and a high modulatory potency ( pEC 50 = 7.71).

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

Sorrisi canonici

C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)CN4CCC(CC4)C5=CC=CC=C5

IUPAC Name

3-(cyclopropylmethyl)-7-[(4-phenylpiperidin-1-yl)methyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

InChIKey

LYDKDODJIBQNLK-UHFFFAOYSA-N

INCHI

1S/C23H25F3N4/c24-23(25,26)21-19(10-13-30-20(14-16-6-7-16)27-28-22(21)30)15-29-11-8-18(9-12-29)17-4-2-1-3-5-17/h1-5,10,13,16,18H,6-9,11-12,14-15H2

Isomeri SMILES

C1CC1CC2=NN=C3N2C=CC(=C3C(F)(F)F)CN4CCC(CC4)C5=CC=CC=C5

PubChem CID

49822115

Termini MeSH

3-(cyclopropylmethyl)-7-((4-phenyl-1-piperidinyl)methyl)-8-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyridine;JNJ-46281222

Peso molecolare

414.47

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Triazolopyridines Aralkylamines Pyridines and derivatives Benzene and substituted derivatives Triazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - Triazolopyridine - Aralkylamine - Monocyclic benzene moiety - Pyridine - Benzenoid - 1,2,4-triazole - Triazole - Azole - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrocarbon derivative - Alkyl halide - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group.
• 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

Obiettivi associati (umani)

GRM2 Tchem Metabotropic glutamate receptor 2 (4 Activities)

Discover Target: GRM2

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

KCNH2 Tclin HERG (29587 Activities)

Discover Target: KCNH2

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

Obiettivi associati (non umani)

Grm2 Metabotropic glutamate receptor 2 (1326 Activities)

Discover Target: Grm2

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : 62.5 mg/mL (150.79 mM; Need ultrasonic)
• Peso molecolare: 414.500 g/mol
• XLogP3: 5.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 414.203 Da
• Monoisotopic Mass: 414.203 Da
• Topological Polar Surface Area: 33.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 567.000
• 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

Domande frequenti

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1254980-38-5, the molecular formula is C23H25F3N4, and the molecular weight is 414.47 g/mol. InChIKey LYDKDODJIBQNLK-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.