NSP-805 - Moligand™,≥99% , CAS No.125068-54-4

CAS: 125068-54-4 Cat. No.: N648202 Summenformel: C₁₇H₁₉N₃O₂ Molekulargewicht: 297.35 PubChem CID: 130349

GRADE & PURITY Moligand™, ≥99%

Synonyms

4,5-Dihydro-5-methyl-6-(4-((2-methyl-3-oxo-1-cyclopentenyl)amino)phenyl)-3-(2H)-pyridazinone | F81718 | 3-[4-(6-Hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)anilino]-2-methylcyclopent-2-en-1-one | MS-24267 | Nsp 805 | 4,5-Dihydro-6-(4-((2-methyl-3-oxo-1-cyc

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

NSP-805 is a potent and selective inhibitor of guinea pig cardiac phosphodiesterase 3 (PDE3), and a cardiotonic agent with vasodilator properties.

Specifications

Synonyme

4,5-Dihydro-5-methyl-6-(4-((2-methyl-3-oxo-1-cyclopentenyl)amino)phenyl)-3-(2H)-pyridazinone | F81718 | 3-[4-(6-Hydroxy-4-methyl-4,5-dihydropyridazin-3-yl)anilino]-2-methylcyclopent-2-en-1-one | MS-24267 | Nsp 805 | 4,5-Dihydro-6-(4-((2-methyl-3-oxo-1-cyc

Spezifikationen & Reinheit

Moligand™,≥99%

Biochemische und physiologische Mechanismen

NSP-805 is a potent and selective inhibitor of guinea pig cardiac phosphodiesterase 3 (PDE3) , and a cardiotonic agent with vasodilator properties.

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

• Kanonisches Lächeln: CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C
• IUPAC Name: 4-methyl-3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
• InChIKey: DSRIICXPBQXOKK-UHFFFAOYSA-N
• INCHI: 1S/C17H19N3O2/c1-10-9-16(22)19-20-17(10)12-3-5-13(6-4-12)18-14-7-8-15(21)11(14)2/h3-6,10,18H,7-9H2,1-2H3,(H,19,22)
• Isomere SMILES: CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C
• Alternative CAS-Nummer: 125068-54-4
• PubChem CID: 130349
• MeSH-Eintrag: 4,5-dihydro-5-methyl-6-(4-((2-methyl-3-oxo-1-cyclopentenyl)amino)phenyl)-3-(2H)-pyridazinone;NSP 805;NSP-805
• Molekulargewicht: 297.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Secondary alkylarylamines Pyridazinones Vinylogous amides Cyclic ketones Amino acids and derivatives Enamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Pyridazinone - Pyridazine - Vinylogous amide - Cyclic ketone - Ketone - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Enamine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 41.67 mg/mL (140.14 mM; Need ultrasonic)
• Molekulargewicht: 297.350 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 297.148 Da
• Monoisotopic Mass: 297.148 Da
• Topological Polar Surface Area: 70.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 542.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 125068-54-4, the molecular formula is C17H19N3O2, and the molecular weight is 297.35 g/mol. InChIKey DSRIICXPBQXOKK-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.