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Metabolism
Isovaleramide - 10mM in DMSO, high purity , CAS No.541-46-8
Isovaleramide - 10mM in DMSO, high purity , CAS No.541-46-8
Anticonvulsant. Liver alcohol dehydrogenase inhibitor.
Basic Description
Synonyms
ISOVALERAMIDE | 3-Methylbutanamide | 541-46-8 | Butanamide, 3-methyl- | 3-Methylbutyramide | Isopentanamide | Isovaleric amide | Isovaleric acid amide | Isovaleramide [USAN] | NFS1776 | .beta.-Methylbutyramide | NPS-1776 | NSC-402555 | 9CP4KB634M | NFS-1776 | Isovaleramide (USAN) | beta
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Anticonvulsant molecule originally isolated from Valeriana pavonii. Non-competitive liver alcohol dehydrogenase inhibitor. Allosteric modulator of the GABA A receptor.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Product Describtion:
Isovaleramide is an anticonvulsant molecule isolated from Valeriana pavonii, which can inhibit the liver alcohol dehydrogenases.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Lipids and lipid-like molecules
Class
Fatty Acyls
Subclass
Fatty amides
Intermediate Tree Nodes
Not available
Direct Parent
Fatty amides
Alternative Parents
Primary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Fatty amide - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
External Descriptors
Not available
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-methylbutanamide
INCHI
InChI=1S/C5H11NO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H2,6,7)
InChIKey
SANOUVWGPVYVAV-UHFFFAOYSA-N
Smiles
CC(C)CC(=O)N
Isomeric SMILES
CC(C)CC(=O)N
Molecular Weight
101.15
Reaxy-Rn
1740789
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1740789&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Boil Point(°C)
232°C
Melt Point(°C)
134-138°C
Molecular Weight
101.150 g/mol
XLogP3
0.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
2
Exact Mass
101.084 Da
Monoisotopic Mass
101.084 Da
Topological Polar Surface Area
43.100 Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
68.500
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
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
Citations of This Product
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1 Citations