(S)-(-)-α -Lipoic acid - ≥97%(HPLC) , CAS No.1077-27-6

CAS: 1077-27-6 Cat. No.: L124685 Fórmula: C₈H₁₄O₂S₂ Peso molecular: 206.33 Beilstein Registry Number: 81852 Número CE: 664-251-3

GRADE & PURITY ≥97%(HPLC)

Synonyms

(S)-(-)-lipoic acid | AKOS016842424 | C8H14O2S2 | s-(-)-alpha-lipoic acid | thioctic-acid | Thioctic acid, (-)- | 1,2-Dithiolane-3-pentanoic acid, (3S)- | L-6-thioctic acid | (-)-Thioctic Acid | (3S)-1,2-Dithiolane-3-pentanoic Acid | (S)-Thioctic Acid | S

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(S)-(-)-lipoic acid | AKOS016842424 | C8H14O2S2 | s-(-)-alpha-lipoic acid | thioctic-acid | Thioctic acid, (-)- | 1,2-Dithiolane-3-pentanoic acid, (3S)- | L-6-thioctic acid | (-)-Thioctic Acid | (3S)-1,2-Dithiolane-3-pentanoic Acid | (S)-Thioctic Acid | S

Especificações e pureza

≥97%(HPLC)

Mecanismos bioquímicos e fisiológicos

Biological antioxidant with prooxidant activities. Method for enantioseparation of lipoic acid in dietary supplements by capillary electrophoresis.Biological antioxidant with prooxidant activities . Method for enantioseparation of lipoic acid in dietary s

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%(HPLC)

Nomes e identificadores

Pubchem Sid

504758837

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758837

Sorrisos canónicos

C1CSSC1CCCCC(=O)O

IUPAC Name

5-[(3S)-dithiolan-3-yl]pentanoic acid

InChIKey

AGBQKNBQESQNJD-ZETCQYMHSA-N

INCHI

1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)/t7-/m0/s1

SMILES isoméricas

C1CSS[C@H]1CCCCC(=O)O

WGK Alemanha

3

Peso molecular

206.33

Beilstein

81852

Reaxy-Rn

81853

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=81853&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Dithiolanes
      • Subclass Lipoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Dithiolanes
• Subclass: Lipoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Lipoic acids and derivatives
• Alternative Parents: Medium-chain fatty acids Thia fatty acids Heterocyclic fatty acids 1,2-dithiolanes Organic disulfides Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Lipoic_acid_derivative - Medium-chain fatty acid - Heterocyclic fatty acid - Thia fatty acid - Fatty acyl - Fatty acid - 1,2-dithiolane - Organic disulfide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as lipoic acids and derivatives. These are compounds containing a lipoic acid moiety (or a derivative thereof), which consists of a pentanoic acid (or derivative) attached to the C3 carbon atom of a 1,2-dithiolane ring.
• External Descriptors: dithiolanes - thia fatty acid - heterocyclic fatty acid - lipoic acid

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

Alvos associados (humanos)

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

Discover Target: CHRM1

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

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)

Discover Target: CYP1A2

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

CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)

Discover Target: CYP2C9

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

CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)

Discover Target: CYP2C19

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

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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

HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 206.300 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 206.044 Da
• Monoisotopic Mass: 206.044 Da
• Topological Polar Surface Area: 87.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 1077-27-6, the molecular formula is C8H14O2S2, and the molecular weight is 206.33 g/mol. InChIKey AGBQKNBQESQNJD-ZETCQYMHSA-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.