SC-26196 - ≥98% , CAS No.218136-59-5

CAS: 218136-59-5 Cat. No.: S276482 分子式: C₂₇H₂₉N₅ 分子量: 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

概要

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

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

注

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.

純度

≥98%

名前と識別子

パブケム・シド

504764964

パブケム・シド・ウル

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

カノニカル・スマイル

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+

異性体SMILES

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

PubChem CID

9845201

分子量

423.56

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in DMSO to 10\xa0mM
• 分子量: 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