Saterinone - ≥95% , CAS No.102669-89-6

CAS: 102669-89-6 Cat. No.: S1338971 PubChem CID: 65874

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Tipo di azione

INHIBITOR

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O
• IUPAC Name: 5-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
• InChIKey: KLEKLDFUYOZELG-UHFFFAOYSA-N
• INCHI: 1S/C27H30N4O4/c1-19-24(15-21(16-28)27(33)29-19)20-7-9-23(10-8-20)35-18-22(32)17-30-11-13-31(14-12-30)25-5-3-4-6-26(25)34-2/h3-10,15,22,32H,11-14,17-18H2,1-2H3,(H,29,33)
• Isomeri SMILES: CC1=C(C=C(C(=O)N1)C#N)C2=CC=C(C=C2)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O
• CAS alternativo: 102669-89-6
• PubChem CID: 65874
• Termini MeSH: 1,2-dihydro-5-(4-(2-hydroxy-3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-6-methyl-2-oxo-3-pyridinecarbonitrile;BDF 8634;BDF-8634;saterinone

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Phenylpyridines Aminophenyl ethers Methoxyanilines 3-pyridinecarbonitriles Anisoles Dialkylarylamines Methoxybenzenes Phenoxy compounds N-alkylpiperazines Methylpyridines Dihydropyridines Alkyl aryl ethers Pyridinones Heteroaromatic compounds Trialkylamines Secondary alcohols Lactams 1,2-aminoalcohols Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - 3-phenylpyridine - N-arylpiperazine - Aminophenyl ether - Methoxyaniline - Anisole - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - 3-pyridinecarbonitrile - Methoxybenzene - Methylpyridine - N-alkylpiperazine - Dihydropyridine - Alkyl aryl ether - Pyridinone - Hydropyridine - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Lactam - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Nitrile - Carbonitrile - Azacycle - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Alcohol - Organopnictogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine 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

Proprietà chimiche e fisiche

• Peso molecolare: 474.600 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 474.227 Da
• Monoisotopic Mass: 474.227 Da
• Topological Polar Surface Area: 98.100 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 846.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 under standard ambient conditions. No temperature-controlled packaging is required.

How should this product be stored?

Store at room temperature.

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

The CAS Number is 102669-89-6. InChIKey KLEKLDFUYOZELG-UHFFFAOYSA-N.

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.