Tenuazonic acid - ≥96% , CAS No.610-88-8

CAS: 610-88-8 Cat. No.: T275339 Molecular Weight: 197.23 EC Number: 636-400-2 PubChem CID: 54678599

GRADE & PURITY ≥96%

Synonyms

SCHEMBL8704 | 4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one | 3-Acetyl-5-(sec-butyl)-4-hydroxy-1,5-dihydro-2H-pyrrol-2-one | Vivotoxin | TENUAZONIC ACID | L-Tenuazonic acid | Tenuazonic acid copper salt from Alternaria alternata | 3-Acetyl-5-sec

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Product Application：

Tenuazonic Acid is an alternaria mycotoxin, found in common edible crops. It inhibits protein synthesis in fibroblasts. 

Specifications

Synonyms

SCHEMBL8704 | 4-acetyl-2-butan-2-yl-3-hydroxy-1, 2-dihydropyrrol-5-one | 3-Acetyl-5-(sec-butyl)-4-hydroxy-1, 5-dihydro-2H-pyrrol-2-one | Vivotoxin | TENUAZONIC ACID | L-Tenuazonic acid | Tenuazonic acid copper salt from Alternaria alternata | 3-Acetyl-5-sec

Specifications & Purity

≥96%

Biochemical and Physiological Mechanisms

Mycotoxin with antibiotic, antiviral and antineoplastic activity. Inhibits protein synthesis in vitro.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Toxic, refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504771350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771350
• Canonical Smiles: CCC(C)C1C(=C(C(=O)N1)C(=O)C)O
• IUPAC Name: 4-acetyl-2-butan-2-yl-3-hydroxy-1,2-dihydropyrrol-5-one
• InChIKey: CEIZFXOZIQNICU-UHFFFAOYSA-N
• INCHI: 1S/C10H15NO3/c1-4-5(2)8-9(13)7(6(3)12)10(14)11-8/h5,8,13H,4H2,1-3H3,(H,11,14)
• Isomeric SMILES: CCC(C)C1C(=C(C(=O)N1)C(=O)C)O
• PubChem CID: 54678599
• Molecular Weight: 197.23

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolines
• Alternative Parents: Vinylogous acids Secondary carboxylic acid amides Lactams Ketones Enols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrroline - Vinylogous acid - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Enol - Azacycle - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolines. These are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Soluble in DMSO and in ethanol.Chloroform (Slightly), Methanol (Slightly)
• Sensitivity: Moisture sensitive;light sensitive
• Molecular Weight: 197.230 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 197.105 Da
• Monoisotopic Mass: 197.105 Da
• Topological Polar Surface Area: 66.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 306.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1