Siguazodan - Moligand™, ≥95% , CAS No.115344-47-3

CAS: 115344-47-3 Cat. No.: S287934 Formule: C₁₄H₁₆N₆O Poids moléculaire: 284.32 Numéro CE: 634-221-4 PubChem CID: 72124

GRADE & PURITY Moligand™, ≥95%

Synonyms

SR-01000075284-1 | AKOS024456417 | Dicarbethoxymethane | SkF94836 | SKF-94836 | Diaethylacetal | Guanidine, N-cyano-N'-methyl-N''-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]- | GLXC-26081 | HMS2090J18 | NCGC00025032-04 | sec-Butyl ethanoat

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Siguazodan (SKF 94836) is a potent, selective and orally active phosphodiesterase III (PDE-III) inhibitor with an IC50 of 117 nM. Siguazodan increases cAMP accumulation in intact platelets with an EC50 of 18.88 μM. Siguazodan also inhibits phenylephrine-induced 5-HT release with an IC50 value of 4.2 μM.

Specifications

Synonymes

SR-01000075284-1 | AKOS024456417 | Dicarbethoxymethane | SkF94836 | SKF-94836 | Diaethylacetal | Guanidine, N-cyano-N'-methyl-N''-[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]- | GLXC-26081 | HMS2090J18 | NCGC00025032-04 | sec-Butyl ethanoat

Spécifications et pureté

Moligand™, ≥95%

Mécanismes biochimiques et physiologiques

Phosphodiesterase inhibitor, selective for PDE3 (IC50= 117 nM).

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™

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 528767283
• Sourires canoniques: CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=NC)NC#N
• IUPAC Name: 1-cyano-2-methyl-3-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]guanidine
• InChIKey: NUHPODZZKHQQET-UHFFFAOYSA-N
• INCHI: 1S/C14H16N6O/c1-9-7-12(21)19-20-13(9)10-3-5-11(6-4-10)18-14(16-2)17-8-15/h3-6,9H,7H2,1-2H3,(H,19,21)(H2,16,17,18)
• Isomères SMILES: CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=NC)NC#N
• PubChem CID: 72124
• Poids moléculaire: 284.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazines
      • Subclass Pyridazines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazines
• Subclass: Pyridazines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridazines and derivatives
• Alternative Parents: Benzene and substituted derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Imines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Pyridazine - Benzenoid - Guanidine - Carboximidamide - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Imine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridazines and derivatives. These are compounds containing a pyridazine ring, which is a six-member aromatic ring containing two nitrogen atoms at positions 1 and 2, and four carbon atoms.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: None, Max Conc. mM: 100
• Poids moléculaire: 284.320 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 284.139 Da
• Monoisotopic Mass: 284.139 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 495.000
• 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