Levosimendan - Moligand™,≥98% , Troponin, cardiac muscle positive modulator, CAS No.141505-33-1, Troponin, cardiac muscle positive modulator

CAS: 141505-33-1 Cat. No.: L129925 Molecular Weight: 280.28 EC Number: 663-528-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

OR1259 | HMS3884N17 | levosimendanum | Tox21_112191_1 | SR-01000931342-2 | DTXSID9046445 | Levosimendan [USAN:INN] | Simsndan;OR-1259 | ({4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile | (R)-((4-(1,4,5,6-Tetrahydr

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Levosimendan is a calcium sensitizer acting through calcium-dependent binding to cardiac troponin C (cTnC), provides treatment for heart failure.
A Ca2+ sensitizer that increases contractile force of the myocardium.

Specifications

Synonyms

OR1259 | HMS3884N17 | levosimendanum | Tox21_112191_1 | SR-01000931342-2 | DTXSID9046445 | Levosimendan [USAN:INN] | Simsndan;OR-1259 | ({4-[(4R)-4-methyl-6-oxo-1, 4, 5, 6-tetrahydropyridazin-3-yl]phenyl}hydrazono)propanedintrile | (R)-((4-(1, 4, 5, 6-Tetrahydr

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Levosimendan is a Ca2+ sensitizer that increases contractile force of the myocardium by enhancing the sensitivity of myofilaments to calcium without increasing intracellular calcium concentration. Levosimendan has been shown to reduce circulating proinfla

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Troponin, cardiac muscle positive modulator

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Product Properties

• ALogP: 2.3

Names and Identifiers

• Pubchem Sid: 504762348
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762348
• Canonical Smiles: CC1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N
• IUPAC Name: 2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile
• InChIKey: WHXMKTBCFHIYNQ-SECBINFHSA-N
• 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)/t9-/m1/s1
• Isomeric SMILES: C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N
• WGK Germany: 3
• RTECS: TY1570210
• Molecular Weight: 280.28
• Reaxy-Rn: 6959884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6959884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylhydrazines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylhydrazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylhydrazines
• Alternative Parents: Pyridazinones Nitriles Hydrazones Carboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylhydrazine - Pyridazinone - Pyridazine - Carboxylic acid derivative - Hydrazone - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylhydrazines. These are compounds containing a phenylhydrazide moiety, which consists of a hydrazide substituent attached to a phenyl group.
• External Descriptors: nitrile - pyridazinone - hydrazone

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

Associated Targets(Human)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PDE3A Tclin Phosphodiesterase 3 (1749 Activities)

Discover Target: PDE3A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Danio rerio (3092 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water (<1 mg/ml), DMSO (56 mg/ml), methanol, and ethanol (<1 mg/ml).
• Specific Rotation[α]: -627° (C=0.5,THF)
• Melt Point(°C): 210-214°C
• Molecular Weight: 280.280 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 280.107 Da
• Monoisotopic Mass: 280.107 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 549.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1