Talatisamine - 10mM in DMSO , CAS No.20501-56-8

CAS: 20501-56-8 Cat. No.: T422490 Summenformel: C₂₄H₃₉NO₅ Molekulargewicht: 421.57 PubChem CID: 159891

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

Talatisamine|Talatizamine|20501-56-8|11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol|20-Ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol|NSC624752|20-Ethyl-1-alpha,16-beta-dimethoxy-4-(m

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

Talatisamine, a delphinine type alkaloid extracted from Aconitum talassicum, is a newly identified K+ channel blocker with hypotensive and antiarrhythmic activities.

Targets

IK channel 146 μM

In vitro

Talatisamine is a specific blocker for I_K channel. External application of talatisamine reversibly inhibited the delayed rectifier K+ current (IK) with an IC50 value of 146.0±5.8 μM in a voltage-dependent manner, but exhibited very slight blocking effect on the voltage-gated Na+ and Ca2+ currents even at the high concentration of 1-3 mM in rat hippocampal neurons. Talatisamine had no allosteric action on IK channel and was a pure blocker binding to the external pore entry of the channel.

Spezifikationen

Synonyme

Talatisamine | Talatizamine | 20501-56-8 | 11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol | 20-Ethyl-1,16-dimethoxy-4-(methoxymethyl)aconitane-8,14-diol | NSC624752 | 20-Ethyl-1-alpha,16-beta-dimethoxy-4-(m

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

Talatisamine, a delphinine type alkaloid extracted from Aconitum talassicum, is a newly identified K+ channel blocker with hypotensive and antiarrhythmic activities.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

-0.324

HBD-Zahl

1

Rotationsfähige Bindung

5

Namen und Kennungen

Pubchem Sid

528771189

Kanonisches Lächeln

CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC)COC

IUPAC Name

11-ethyl-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8-diol

InChIKey

BDCURAWBZJMFIK-UHFFFAOYSA-N

INCHI

1S/C24H39NO5/c1-5-25-11-22(12-28-2)7-6-18(30-4)24-14-8-13-16(29-3)10-23(27,19(14)20(13)26)15(21(24)25)9-17(22)24/h13-21,26-27H,5-12H2,1-4H3

Isomere SMILES

CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)OC)COC

PubChem CID

159891

Molekulargewicht

421.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Diterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Aconitane-type diterpenoid alkaloids
• Alternative Parents: Quinolidines Alkaloids and derivatives Azepanes Piperidines Tertiary alcohols Trialkylamines Secondary alcohols Cyclic alcohols and derivatives Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Aconitane-type diterpenoid alkaloid - Quinolidine - Alkaloid or derivatives - Azepane - Piperidine - Cyclic alcohol - Tertiary alcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aconitane-type diterpenoid alkaloids. These are alkaloid diterpenoids with a structure based on the hexacyclic aconitane skeleton. These compounds have no oxygen functionality at the C7 atom.
• 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

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 35
• DMSO (mM) Maximale Löslichkeit: 83.0229539965542
• Molekulargewicht: 421.600 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 421.283 Da
• Monoisotopic Mass: 421.283 Da
• Topological Polar Surface Area: 71.400 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 720.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 12
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1