WAY-221060-A - ≥98% , CAS No.1351406-38-6

CAS: 1351406-38-6 Cat. No.: W418010 Formula: C₁₇H₁₈N₄O Peso molecolare: 294.36 PubChem CID: 6242130

GRADE & PURITY ≥98%

Storage

Room temperature

Panoramica

promoting myelination (treat human neurodegenerative diseases); protect oligodendrocyte viability and differentiation under inflammatory conditions; improving the efficacy of viral transduction of cells; Inhibitors of 7-Dehydrocholesterol Reductase; promoting remyelination; promoting myelination; promote remyelination; inhibitors of JARID1A and JARID1B; modulating Prostaglandin signaling; hOCT1 and hOCT2 substrates ; improved viral transduction; vesicular acetylcholine transporter inhibitors; Inhibition of Cholinergic Signaling; vesicular acetylcholine transporter inhibitors; altering the lifespan of a eukaryotic organism; antidepressant; inhibit transport-P in peptidergic neurons; protein kinase C activation; α-Adrenoceptor blocking properties; acetylcholine transport blocker;

Specifications

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

488195690

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195690

Sorrisi canonici

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=CC=CC=C3

IUPAC Name

(E)-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

InChIKey

XCGMDDSRZZXNOE-BQYQJAHWSA-N

INCHI

1S/C17H18N4O/c22-16(8-7-15-5-2-1-3-6-15)20-11-13-21(14-12-20)17-18-9-4-10-19-17/h1-10H,11-14H2/b8-7+

Isomeri SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=CC=C3

PubChem CID

6242130

Peso molecolare

294.36

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: N-arylpiperazines
• Alternative Parents: Cinnamic acids and derivatives Styrenes Dialkylarylamines Aminopyrimidines and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Cinnamic acid or derivatives - N-arylpiperazine - Styrene - Dialkylarylamine - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl 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: 294.350 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 294.148 Da
• Monoisotopic Mass: 294.148 Da
• Topological Polar Surface Area: 49.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 378.000
• 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