DL-6,8-Thioctamide - 10mM in DMSO , CAS No.940-69-2

CAS: 940-69-2 Cat. No.: D580597 Molecular Weight: 205.34 EC Number: 213-375-2

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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

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

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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)
• Isomeric SMILES: C1CSSC1CCCCC(=O)N
• Molecular Weight: 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
    • Class Dithiolanes
      • Subclass Lipoamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 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