Istaroxime , Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 activator, CAS No.203737-93-3, Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 activator

CAS: 203737-93-3 Cat. No.: I125411 Formula: C₂₁H₃₂N₂O₃ Peso molecolare: 360.49 PubChem CID: 9841834

Synonyms

UNII-W40687GO3S | Istaroxime [INN] | W8I9H2TPPL | Androstane-3,6,17-trione, 3-(O-(2-aminoethyl)oxime), (3E,5alpha)- | Debio-0614 | (3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenant

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinonimi

UNII-W40687GO3S | Istaroxime [INN] | W8I9H2TPPL | Androstane-3,6,17-trione, 3-(O-(2-aminoethyl)oxime), (3E,5alpha)- | Debio-0614 | (3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenant

Meccanismi biochimici e fisiologici

Description:
IC50 Value: 0.43 ± 0.15 μM (Na+/K+-ATPase activity from dog kidney) [1]
Istaroxime is a positive inotropic agent that mediates its action through inhibition of sodium/potassium adenosine triphosphatase (Na

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Meccanismo d'azione

Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 activator

Nomi e identificatori

Sorrisi canonici

CC12CCC(=NOCCN)CC1C(=O)CC3C2CCC4(C3CCC4=O)C

IUPAC Name

(3E,5S,8R,9S,10R,13S,14S)-3-(2-aminoethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione

InChIKey

MPYLDWFDPHRTEG-PAAYLBSLSA-N

INCHI

1S/C21H32N2O3/c1-20-7-5-13(23-26-10-9-22)11-17(20)18(24)12-14-15-3-4-19(25)21(15,2)8-6-16(14)20/h14-17H,3-12,22H2,1-2H3/b23-13+/t14-,15-,16-,17+,20+,21-/m0/s1

Isomeri SMILES

C[C@]12CC/C(=N\OCCN)/C[C@@H]1C(=O)C[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C

PubChem CID

9841834

Peso molecolare

360.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Steroids and steroid derivatives
      • Subclass Androstane steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Steroids and steroid derivatives
• Subclass: Androstane steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Androstane steroids
• Alternative Parents: 6-oxosteroids 17-oxosteroids Oxime ethers Ketones Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Androstane-skeleton - 17-oxosteroid - Oxosteroid - 6-oxosteroid - Ketone - Oxime ether - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Aliphatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as androstane steroids. These are steroids with a structure based on the 19-carbon androstane skeleton.
• 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

Obiettivi associati (umani)

ATP12A Tchem Potassium-transporting ATPase alpha chain 2 (0 Activities)

Discover Target: ATP12A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ATP1A1 Tclin Sodium/potassium-transporting ATPase alpha-1 chain (7 Activities)

Discover Target: ATP1A1

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

Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: 25°C: 10 mM in distilled water
• Peso molecolare: 360.500 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 360.241 Da
• Monoisotopic Mass: 360.241 Da
• Topological Polar Surface Area: 81.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 645.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Domande frequenti

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 203737-93-3, the molecular formula is C21H32N2O3, and the molecular weight is 360.49 g/mol. InChIKey MPYLDWFDPHRTEG-PAAYLBSLSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.