SC-26196 - ≥98% , CAS No.218136-59-5

CAS: 218136-59-5 Cat. No.: S276482 Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764964
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764964
• Canonical Smiles: 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+
• Isomeric SMILES: C1CN(CCN1CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)/N=C/C4=CN=CC=C4
• PubChem CID: 9845201
• Molecular Weight: 423.56

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 10\xa0mM
• Molecular Weight: 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