Product Name

  • Name

    Simendan

  • EINECS
  • CAS No. 131741-08-7
  • Article Data3
  • CAS DataBase
  • Density 1.33 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H12N6O
  • Boiling Point
  • Molecular Weight 280.289
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 131741-08-7 (Simendan)
  • Hazard Symbols
  • Synonyms Propanedinitrile,[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]- (9CI);((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile;2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile;
  • PSA 113.43000
  • LogP 1.19916

Synthetic route

6-(4-aminophenyl)-5-methylpyridazine-3(2H)-one
52240-11-6

6-(4-aminophenyl)-5-methylpyridazine-3(2H)-one

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile
131741-08-7

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile

Conditions
ConditionsYield
97%
malononitrile
109-77-3

malononitrile

6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
36725-28-7

6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile
131741-08-7

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile

Conditions
ConditionsYield
With sodium nitrite
With sodium nitrite
piperazine
110-85-0

piperazine

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile
131741-08-7

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile

2-imino-N'-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)-2-(piperazin-1-yl)acetohydrazonoyl cyanide

2-imino-N'-(4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl)phenyl)-2-(piperazin-1-yl)acetohydrazonoyl cyanide

Conditions
ConditionsYield
In ethanol at 80℃; for 17.5h;76%
(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile
131741-08-7

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile

A

levosimendan
141505-33-1

levosimendan

B

(+)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]propanedinitrile

(+)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]propanedinitrile

Conditions
ConditionsYield
1-propanol, poly(vinylpyrrolidone), Tris/Tricine buffer, pH 7.4;
water ethanol
180330-54-5

water ethanol

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile
131741-08-7

(-)-[[4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]-propanedinitrile

methyl iodide
74-88-4

methyl iodide

6-[4-(1,1-dicyanomethylidene-N-methylhydrazino)phenyl]-4,5-dihydro-5-methylpyridazin-3(2H)one
131741-28-1

6-[4-(1,1-dicyanomethylidene-N-methylhydrazino)phenyl]-4,5-dihydro-5-methylpyridazin-3(2H)one

Conditions
ConditionsYield
With potassium carbonate In acetone
...Expand

Simendan Chemical Properties

IUPAC Name: 2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile
CAS: 131741-08-7
Formula: C14H12N6O
Molecular Weight: 280.28
Molecular Structure of  2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile (131741-08-7):

Water Solubility: 58.06(mg/L) at 25°C
Index of Refraction: 1.673 
Molar Refractivity: 78.68 cm3 
Molar Volume: 209.8 cm3 
Density: 1.33 g/cm3   
Polarizability: 31.19 10-24cm3 
Surface Tension: 57.1 dyne/cm 
Product Categories: The product of  2-[[4-(4-methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile (131741-08-7) is a new class of drugs to enhance myocardial contractile force, belonging to calcium-sensitizing agent, can enhance the calcium sensitivity of myocardial cells, thereby enhancing myocyte contractility.

Simendan Uses

The product of  2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile (131741-08-7)  is used as an antiemetic drug.

Simendan Specification

   The chemical synonyms of 2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile (131741-08-7) are 2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile ; ((4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)propanedinitrile ; Simendan ; Simendan R--[4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl] hydrozono]-propanedinitrile ; R-(-)-4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl hydrozono-propanedinitrile .The product of  2-[[4-(4-Methyl-6-oxo-4,5-dihydro-1h-pyridazin-3-yl)phenyl]hydrazinylidene]propanedinitrile (131741-08-7)  has  well tolerated, with other cardiovascular drugs such as β blockers, ACE inhibitors, calcium antagonists, nitrates, digoxin, warfarin, aspirin, etc. in conjunction with, the more secure . Abroad have been carried out in several large clinical trials, adverse reactions are mild and rarely serious arrhythmia.

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