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

CAS: 125068-54-4 Cat. No.: N648202 Formule: C₁₇H₁₉N₃O₂ Poids moléculaire: 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

Vue d’ensemble

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

Specifications

Synonymes

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

Spécifications et pureté

Moligand™,≥99%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Pureté

≥99%

Noms et identifiants

• Sourires canoniques: 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)
• Isomères SMILES: CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C
• CAS alternatif: 125068-54-4
• PubChem CID: 130349
• Termes d'entrée MeSH: 4,5-dihydro-5-methyl-6-(4-((2-methyl-3-oxo-1-cyclopentenyl)amino)phenyl)-3-(2H)-pyridazinone;NSP 805;NSP-805
• Poids moléculaire: 297.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO : 41.67 mg/mL (140.14 mM; Need ultrasonic)
• Poids moléculaire: 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

Foire aux questions

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.