Nicodicosapent - ≥98% , CAS No.1269181-69-2

CAS: 1269181-69-2 Cat. No.: N648385 Formula: C₂₈H₃₉N₃O₂ Peso molecolare: 449.63 PubChem CID: 50991753

GRADE & PURITY ≥98%

Synonyms

Nicodicosapent | N-(2-((5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenamido)ethyl)pyridine-3-carboxamide | Nicodicosapent [INN] | UNII-72995E50VA | AKOS040742302 | MS-28152 | 3-Pyridinecarboxamide, N-(2-(((5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentae

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Panoramica

Nicodicosapent is a fatty acid niacin conjugate that is also an inhibitor of the sterol regulatory element binding protein (SREBP) , a key regulator of cholesterol metabolism proteins such as PCSK9, HMG-CoA reductase , ATP citrate lyase , and NPC1L1.

In Vitro

Nicodicosapent decreases the production of mature SREBP-2 protein in HepG2 cells, but does not interact with the GPR109A receptor. Nicodicosapent shows a synergistic inhibition on secreted PCSK9 and has an IC 50 value of 17 μM. Nicodicosapent significantly inhibits ApoB secretion in a dose-dependent manner with IC 50 of 27 μM. Nicodicosapent results in a time-dependent hydrolysis in HepG2 cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Nicodicosapent (100 mg/kg po) produces high plasma levels of nicotinuric acid in the plasma. ApoE*3-Leiden mice treated with Nicodicosapent show a significant reduction in PCSK9 levels, LDL particles including VLDL and LDL cholesterol, as well as plasma triglycerides . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinonimi

Nicodicosapent | N-(2-((5Z,8Z,11Z,14Z,17Z)-Icosa-5,8,11,14,17-pentaenamido)ethyl)pyridine-3-carboxamide | Nicodicosapent [INN] | UNII-72995E50VA | AKOS040742302 | MS-28152 | 3-Pyridinecarboxamide, N-(2-(((5Z,8Z,11Z,14Z,17Z)-1-oxo-5,8,11,14,17-eicosapentae

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Nicodicosapent is a fatty acid niacin conjugate that is also an inhibitor of the sterol regulatory element binding protein (SREBP) , a key regulator of cholesterol metabolism proteins such as PCSK9, HMG-CoA reductase , ATP citrate lyase , and NPC1L1.

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

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

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)NCCNC(=O)C1=CN=CC=C1
• IUPAC Name: N-[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]ethyl]pyridine-3-carboxamide
• InChIKey: YYQALOWPCKMFDQ-JLNKQSITSA-N
• INCHI: 1S/C28H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27(32)30-23-24-31-28(33)26-20-19-22-29-25-26/h3-4,6-7,9-10,12-13,15-16,19-20,22,25H,2,5,8,11,14,17-18,21,23-24H2,1H3,(H,30,32)(H,31,33)/b4-3-,7-6-,10-9-,13-12-,16-15-
• Isomeri SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCNC(=O)C1=CN=CC=C1
• CAS alternativo: 1269181-69-2
• PubChem CID: 50991753
• Peso molecolare: 449.63

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives
        • Level5 Pyridinecarboxamides
          • Level6 Nicotinamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Pyridinecarboxamides
• Direct Parent: Nicotinamides
• Alternative Parents: N-acyl amines Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nicotinamide - Fatty amide - N-acyl-amine - Fatty acyl - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as nicotinamides. These are heterocyclic aromatic compounds containing a pyridine ring substituted at position 3 by a carboxamide group.
• 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)

HepG2 (196354 Activities)

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Liver (3974 Activities)

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Obiettivi associati (non umani)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Plasma (328 Activities)

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Intestine (514 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: DMSO : ≥ 100 mg/mL (222.41 mM) Ethanol : 2 mg/mL (4.45 mM; Need ultrasonic)
• Peso molecolare: 449.600 g/mol
• XLogP3: 5.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 449.304 Da
• Monoisotopic Mass: 449.304 Da
• Topological Polar Surface Area: 71.100 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 662.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 5
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 5
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 1269181-69-2, the molecular formula is C28H39N3O2, and the molecular weight is 449.63 g/mol. InChIKey YYQALOWPCKMFDQ-JLNKQSITSA-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.