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

CAS: 940-69-2 Cat. No.: L124749 분자식: C₈H₁₅NOS₂ 분자량: 205.34 EC 번호: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at 2-8°C,Argon charged

배송

Wet ice

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등급

Moligand™

순수함

≥98%

이름과 식별자

• Pubchem Sid: 508806852
• 정식 스마일: 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)
• 이성체 SMILES: C1CSSC1CCCCC(=O)N
• 분자량: 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
    • 분류 Dithiolanes
      • Subclass Lipoamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

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작용 메커니즘

화학 및 물리적 특성

• 용해성: ≥ 6.8mg/mL in Etoh with ultrasonic
• 분자량: 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