DL-Carnitine - ≥98% , CAS No.461-06-3

CAS: 461-06-3 Cat. No.: D413371 Peso molecular: 161.2

GRADE & PURITY ≥98%

Synonyms

(±)-Carnitin1-​Propanaminium,3-​carboxy-​2-​hydroxy-​N,​N,​N-​trimethyl-​,inner salt | Carnitina | Carnitine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

DL-Carnitine ((±)-Carnitin) is a racemic mixture of L-Carnitine and D-Carnitine that regulatesfatty acid transportin the mitochondrion. DL-carnitine is found to be ineffective or toxic, for example, to muscle cells and to the myocardium. DL-Carnitine causes symptoms of myasthenia and cardiac arrhythmias.

Specifications

Sinónimos

(±)-Carnitin1-​Propanaminium, 3-​carboxy-​2-​hydroxy-​N, ​N, ​N-​trimethyl-​, inner salt | Carnitina | Carnitine

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

DL-Carnitine ((±)-Carnitin) is a racemic mixture of L-Carnitine and D-Carnitine that regulates fatty acid transport in the mitochondrion. DL-carnitine is found to be ineffective or toxic, for example, to muscle cells and to the myocardium. DL-Carnitine ca

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504750375
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750375
• Sonrisas canónicas: C[N+](C)(C)CC(CC(=O)[O-])O
• IUPAC Name: 3-hydroxy-4-(trimethylazaniumyl)butanoate
• InChIKey: PHIQHXFUZVPYII-UHFFFAOYSA-N
• INCHI: 1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
• Isómeros SMILES: C[N+](C)(C)CC(CC(=O)[O-])O
• CAS alternativo: 406-76-8
• Peso molecular: 161.2
• Reaxy-Rn: 1866665
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1866665&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Carnitines
• Alternative Parents: Short-chain hydroxy acids and derivatives Beta hydroxy acids and derivatives Fatty acids and conjugates Tetraalkylammonium salts Secondary alcohols Carboxylic acid salts 1,2-aminoalcohols Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carnitine - Beta-hydroxy acid - Short-chain hydroxy acid - Fatty acid - Hydroxy acid - Tetraalkylammonium salt - 1,2-aminoalcohol - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Amine - Alcohol - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carnitines. These are organic compounds containing the quaternary ammonium compound carnitine.
• External Descriptors: a D,L-carnitine

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

Objetivos asociados (humanos)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

Discover Target: SLCO2B1

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

SLC22A9 Tbio Solute carrier family 22 member 9 (14 Activities)

Discover Target: SLC22A9

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

SLC22A16 Tbio Solute carrier family 22 member 16 (4 Activities)

Discover Target: SLC22A16

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

Objetivos asociados (no humanos)

Slc25a20 Carnitine/acylcarnitine translocase (26 Activities)

Discover Target: Slc25a20

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

Slc22a5 Solute carrier family 22 member 5 (44 Activities)

Discover Target: Slc22a5

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

Slc22a4 Solute carrier family 22 member 4 (11 Activities)

Discover Target: Slc22a4

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

Slc22a21 Solute carrier family 22 member 21 (8 Activities)

Discover Target: Slc22a21

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 32 mg/mL (198.51 mM); Water: 32 mg/mL (198.51 mM); Ethanol: Insoluble
• Peso molecular: 161.200 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 161.105 Da
• Monoisotopic Mass: 161.105 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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: 1

Referencias

1. Weili Li, Haiyang Li, Lujuan Zheng, Jing Xia, Xiaoxuan Yang, Shuhan Men, Ye Yuan, Yuying Fan.  (2022)  Ginsenoside CK improves skeletal muscle insulin resistance by activating DRP1/PINK1-mediated mitophagy.  Food & Function,  14  (2): (1024-1036).  [PMID:36562271] [10.1039/D2FO02026B]