(±)-α-Lipoamide - Moligand™, ≥98% , CAS No.940-69-2

CAS: 940-69-2 Cat. No.: L124749 Peso molecular: 205.34 Número EC: 213-375-2

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-(dithiolan-3-yl)pentanamide | alpha-Lipoamide | dl-alpha-Lipoamide | HY-B1142 | Vitamin N | ()--Lipoamide;DL-Lipoamide;DL-6,8-Thioctamide | BRD-A14440173-001-01-8 | C00248 | (+-)-1,2-Dithiolane-3-pentanamide | (+/-)-1,2-DITHIOLANE-3-PENTANAMIDE | 6-Thio

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product description：

Lipoamide ((±)-α-Lipoamide) is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of lipoic acid with ammonia. Lipoamide as a coenzyme to transfer acetyl group and hydrogen in the process of pyruvate deacylation.

Specifications

Sinónimos

5-(dithiolan-3-yl)pentanamide | alpha-Lipoamide | dl-alpha-Lipoamide | HY-B1142 | Vitamin N | ()--Lipoamide;DL-Lipoamide;DL-6, 8-Thioctamide | BRD-A14440173-001-01-8 | C00248 | (+-)-1, 2-Dithiolane-3-pentanamide | (+/-)-1, 2-DITHIOLANE-3-PENTANAMIDE | 6-Thio

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CSSC1CCCCC(=O)N
• IUPAC Name: 5-(dithiolan-3-yl)pentanamide
• InChIKey: FCCDDURTIIUXBY-UHFFFAOYSA-N
• INCHI: 1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
• Isómeros SMILES: C1CSSC1CCCCC(=O)N
• Peso molecular: 205.34
• Reaxy-Rn: 122470
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=122470&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Dithiolanes
      • Subclass Lipoamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Dithiolanes
• Subclass: Lipoamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Lipoamides
• Alternative Parents: Fatty amides 1,2-dithiolanes Primary carboxylic acid amides Organic disulfides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Lipoamide - Fatty amide - Fatty acyl - 1,2-dithiolane - Carboxamide group - Organic disulfide - Primary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as lipoamides. These are compounds containing a lipoamide moiety, which consists of a pentanamide attached to the C3 carbon atom of a 1,2-dithiolane ring.
• External Descriptors: a small molecule

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)

KMT2A Tchem Histone-lysine N-methyltransferase MLL (17327 Activities)

Discover Target: KMT2A

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

TARDBP Tchem TAR DNA-binding protein 43 (40113 Activities)

Discover Target: TARDBP

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Plasmodium falciparum (966862 Activities)

Explore this target

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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 acción

Propiedades químicas y físicas

• Solubilidad: ≥ 6.8mg/mL in Etoh with ultrasonic
• Peso molecular: 205.300 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 205.06 Da
• Monoisotopic Mass: 205.06 Da
• Topological Polar Surface Area: 93.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 152.000
• 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