(±)-Acetylcarnitine chloride - ≥98% , CAS No.2504-11-2

CAS: 2504-11-2 Cat. No.: A275185 Formula: C₉H₁₈ClNO₄ Peso molecolare: 239.70

GRADE & PURITY ≥98%

Synonyms

Acetyl-DL-carnitine hydrochloride | (±)-3-Acetoxy-4-(trimethylammonio)butyrate hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Panoramica

(±)-Acetylcarnitine chloride (Acetyl dl-carnitine chloride) is a weak cholinergic agonist with cholinergic properties. (±)-Acetylcarnitine chloride is an important intermediate in lipid metabolism.

Specifications

Sinonimi

Acetyl-DL-carnitine hydrochloride | (±)-3-Acetoxy-4-(trimethylammonio)butyrate hydrochloride

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Important intermediate in lipid metabolism. Weak cholinergic agonist. Metabolic and antioxidant modulator, with ability to cross the blood-brain barrier.

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

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

ANTAGONIST

Nota

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.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528776762

Sorrisi canonici

CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

IUPAC Name

(2-acetyloxy-3-carboxypropyl)-trimethylazanium;chloride

InChIKey

JATPLOXBFFRHDN-UHFFFAOYSA-N

INCHI

1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H

Isomeri SMILES

CC(=O)OC(CC(=O)O)C[N+](C)(C)C.[Cl-]

CAS alternativo

7559-18-4

Peso molecolare

239.70

Reaxy-Rn

4166183

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4166183&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Classe Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Acyl carnitines
• Alternative Parents: Dicarboxylic acids and derivatives Tetraalkylammonium salts Carboxylic acid esters Carboxylic acids Organopnictogen compounds Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl-carnitine - Dicarboxylic acid or derivatives - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid ester - Carboxylic acid derivative - Carboxylic acid - Organic nitrogen compound - Organic salt - Organic chloride salt - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as acyl carnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond.
• 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)

HEK293 (82097 Activities)

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POLI Tchem DNA polymerase iota (116820 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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LMNA Tbio Prelamin-A/C (36751 Activities)

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GMNN Tbio Geminin (128009 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in water to 100 mM
• Sensibilità: Moisture sensitive
• Peso molecolare: 239.690 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 239.092 Da
• Monoisotopic Mass: 239.092 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 219.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3