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NSP-805 - 99%, high purity , CAS No.125068-54-4

COA

Grade & Purity:

≥99%

Cas Number: 125068-54-4
Molecular Weight: 297.35
PubChem CID: 130349

In stock

Item Number

N648202

Grouped product items
SKU	Size	Availability	Price
N648202-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$240.90
N648202-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$408.90
N648202-20mg	20mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$720.90

View related series

Metabolic Enzyme/Protease (4860) Nucleic Acid Metabolism (395) Phosphodiesterase (PDE) (252)

Basic Description

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 \| CS-6788 \| MS-24267 \| Nsp 805 \| 4,5-Dihydro-6-(4-((2-methyl-3
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	NSP-805 is a potent and selective inhibitor of guinea pig cardiac phosphodiesterase 3 (PDE3) , and a cardiotonic agent with vasodilator properties.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	NSP-805 is a potent and selective inhibitor of guinea pig cardiac phosphodiesterase 3 (PDE3) , and a cardiotonic agent with vasodilator properties. In Vitro In isolated guinea pig left atria, NSP-805 shows positive inotropic EC 50 value in order of potency of 0.18 μM. The in vitro positive inotropic effects of NSP-805 is accompanied by increases in tissue cyclic AMP and abolished by carbachol. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo In anesthetized dogs, intravenous (i.v.) injection of NSP-805 produces dose-dependent increases in left ventricular VVdp/dtmax and decreases in aortic blood pressure (ABP) with relatively small increases in heart rate (HR). The ED 50 value for LVdP/dtmax of NSP-805 is 12 μg/kg. When the drugs is administered intraduodenally to anesthetized dogs, the ED 50 value for LVdP/dtmax of NSP-805, is approximately 10 μg/kg. In the propranolol-induced heart failure model, NSP-805 completely improves the hemodynamic state of heart failure to normal levels . NSP-805(100 μg/kg) reduces systemic blood pressure significantly, but the increase of chorio-retinal blood flow is less than that at the low dose of NSP-805 (40 μg/kg) in rabbit eyes. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
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

Names and Identifiers

IUPAC Name	4-methyl-3-[4-[(2-methyl-3-oxocyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1H-pyridazin-6-one
INCHI	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)
InChIKey	DSRIICXPBQXOKK-UHFFFAOYSA-N
Smiles	CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C
Isomeric SMILES	CC1CC(=O)NN=C1C2=CC=C(C=C2)NC3=C(C(=O)CC3)C
Alternate CAS	125068-54-4
PubChem CID	130349
MeSH Entry Terms	4,5-dihydro-5-methyl-6-(4-((2-methyl-3-oxo-1-cyclopentenyl)amino)phenyl)-3-(2H)-pyridazinone;NSP 805;NSP-805
Molecular Weight	297.35

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 41.67 mg/mL (140.14 mM; Need ultrasonic)
Molecular Weight	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 Å²
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

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