Penicillic acid - Moligand™, ≥98% , CAS No.90-65-3

CAS: 90-65-3 Cat. No.: P137904 Formule: C₈H₁₀O₄ Poids moléculaire: 170.16 Numéro CE: 202-008-1 PubChem CID: 1268111

GRADE & PURITY Moligand™, ≥98%

Synonyms

.gamma.-Keto-.beta.-methoxy-.delta.-methylene-.delta.(sup .alpha.)-hexenoic acid | Penicillic acid, >=98% (HPLC) | DTXSID1074830 | Penicillinsaure | SCHEMBL148669 | Q2546851 | 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo- | 3-Methoxy-5-methyl-4-oxohexa-

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Penicillic acid is a polyketide mycotoxin produced by several species of Aspergillus and Penicillium. Penicillic acid exhibits cytotoxicity in rat alveolar macrophages (AM) in vitro. Penicillic acid inhibits Fas ligand-induced apoptosis by blocking self-processing of caspase-8.

Specifications

Synonymes

.gamma.-Keto-.beta.-methoxy-.delta.-methylene-.delta.(sup .alpha.)-hexenoic acid | Penicillic acid, >=98% (HPLC) | DTXSID1074830 | Penicillinsaure | SCHEMBL148669 | Q2546851 | 2,5-Hexadienoic acid, 3-methoxy-5-methyl-4-oxo- | 3-Methoxy-5-methyl-4-oxohexa-

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Penicillic acid is a mycotoxin isolated from various strains of Penicillium and Aspergillus fungi that demonstrates mutagenic and cytotoxic effects. This compound is demonstrated to induce single-strand DNA breaks and to inhibit DNA synthesis in CHO cells

Conditions de stockage de stockage

Store at -20°C,Argon charged

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

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. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528776417
• Sourires canoniques: CC(=C)C(=O)C(=CC(=O)O)OC
• IUPAC Name: (2Z)-3-methoxy-5-methyl-4-oxohexa-2,5-dienoic acid
• InChIKey: VOUGEZYPVGAPBB-XQRVVYSFSA-N
• INCHI: 1S/C8H10O4/c1-5(2)8(11)6(12-3)4-7(9)10/h4H,1H2,2-3H3,(H,9,10)/b6-4-
• Isomères SMILES: CC(=C)C(=O)/C(=C/C(=O)O)/OC
• WGK Allemagne: 3
• PubChem CID: 1268111
• Poids moléculaire: 170.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Medium-chain keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Medium-chain keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Medium-chain keto acids and derivatives
• Alternative Parents: Branched fatty acids Unsaturated fatty acids Alpha-branched alpha,beta-unsaturated ketones Vinylogous esters Enones Acryloyl compounds Ketones Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Medium-chain keto acid - Branched fatty acid - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Unsaturated fatty acid - Acryloyl-group - Enone - Vinylogous ester - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as medium-chain keto acids and derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
• 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (50 mg/ml), DMSO (>10 mg/ml), chloroform (10 mg/ml), ethyl acetate (>10 mg/ml), and acetonitrile (>10 mg/ml)
• Sensibilité: Moisture sensitive
• Point de fusion (°C): 83°C-87°C
• Poids moléculaire: 170.160 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 170.058 Da
• Monoisotopic Mass: 170.058 Da
• Topological Polar Surface Area: 63.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 250.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1