SC-26196 - ≥98% , CAS No.218136-59-5

CAS: 218136-59-5 Cat. No.: S276482 Formule: C₂₇H₂₉N₅ Poids moléculaire: 423.56 PubChem CID: 9845201

GRADE & PURITY ≥98%

Synonyms

2,2-Diphenyl-5-[4-[(E)-pyridin-3-ylmethylideneamino]piperazin-1-yl]pentanenitrile | a,a-diphenyl-4-[(3-pyridinylmethylene)amino]-1-piperazinepentanenitrile

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Product description：

SC-26196 is a potent, orally active Delta6 desaturase (D6D, FADS2) inhibitor (IC50=0.2 µM in a rat liver microsomal assay). Antiinflammatory properties.

Application：

SC-26196 has been used as an inhibitor of delta6 (Δ6) fatty acid desaturase:

in mouse inner medullary collecting duct (IMCD3) and human (female) embryonic kidney (HEK) 293 cell culture as Dulbecco′s modified eagle′s medium (DMEM) component

in hepatic HepG2 cells

in glioblastoma cell lines to test its effect post-radiation treatments

Specifications

Synonymes

2,2-Diphenyl-5-[4-[(E)-pyridin-3-ylmethylideneamino]piperazin-1-yl]pentanenitrile | a,a-diphenyl-4-[(3-pyridinylmethylene)amino]-1-piperazinepentanenitrile

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Selective Δ6 desaturase inhibitor (IC 50 =0.2 μM in vitro ). It displays selectivity over Δ5 and Δ9 desaturases (IC 50 values are >200 μM in vitro). Exhibits anti inflammatory properties in a mouse edema model. Eliminates CSCs from ovarian cancer cell lin

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Note

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504764964

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764964

Sourires canoniques

C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)N=CC4=CN=CC=C4

IUPAC Name

2,2-diphenyl-5-[4-[(E)-pyridin-3-ylmethylideneamino]piperazin-1-yl]pentanenitrile

InChIKey

QFYKXKMYVYOUNJ-JBASAIQMSA-N

INCHI

1S/C27H29N5/c28-23-27(25-10-3-1-4-11-25,26-12-5-2-6-13-26)14-8-16-31-17-19-32(20-18-31)30-22-24-9-7-15-29-21-24/h1-7,9-13,15,21-22H,8,14,16-20H2/b30-22+

Isomères SMILES

C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)/N=C/C4=CN=CC=C4

PubChem CID

9845201

Poids moléculaire

423.56

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylacetonitriles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylacetonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylacetonitriles
• Alternative Parents: Diphenylmethanes Phenylbutylamines N-alkylpiperazines Aralkylamines Pyridines and derivatives Heteroaromatic compounds Trialkylamines Nitriles Hydrazones Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylacetonitrile - Diphenylmethane - Phenylbutylamine - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Piperazine - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Nitrile - Carbonitrile - Hydrazone - Organoheterocyclic compound - Azacycle - Amine - Hydrocarbon derivative - Organonitrogen compound - Cyanide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylacetonitriles. These are cyclic aromatic compounds containing a diphenylacetonitrile moiety, which consists of a diphenylmethane linked to and acetonitrile to form 2,2-diphenylacetonitrile.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO to 10\xa0mM
• Poids moléculaire: 423.600 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 423.242 Da
• Monoisotopic Mass: 423.242 Da
• Topological Polar Surface Area: 55.500 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 599.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1