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MedKoo Cat#: 577181 | Name: Simendan

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Simendan is a hydrazone derivative, pyridazine derivative, calcium-sensitizing agent, and inotropic agent that is used in the treatment of heart failure.

Chemical Structure

Simendan
Simendan
CAS#131741-08-7

Theoretical Analysis

MedKoo Cat#: 577181

Name: Simendan

CAS#: 131741-08-7

Chemical Formula: C14H12N6O

Exact Mass: 280.1073

Molecular Weight: 280.29

Elemental Analysis: C, 59.99; H, 4.32; N, 29.98; O, 5.71

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Simendan
IUPAC/Chemical Name
Propanedinitrile, ((4-(1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl)hydrazono)-
InChi Key
WHXMKTBCFHIYNQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)
SMILES Code
CC1CC(=O)NN=C1c2ccc(NN=C(C#N)C#N)cc2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 280.29 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1. Li J, Wang XY, Yang ZY, Li Y, Yang F, Yuan P, Yang J. The efficacy of simendan in the treatment of acute heart failure and its impact on NT-proBNP. Eur Rev Med Pharmacol Sci. 2019 May;23(9):4027-4032. doi: 10.26355/eurrev_201905_17833. PMID: 31115032.