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

CAS: 90-65-3 Cat. No.: P137904 분자식: C₈H₁₀O₄ 분자량: 170.16 EC 번호: 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

개요

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

동의어

.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-

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

참고

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.

순수함

≥98%

이름과 식별자

Pubchem Sid

528776417

정식 스마일

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-

이성체 SMILES

CC(=C)C(=O)/C(=C/C(=O)O)/OC

WGK 독일

3

PubChem CID

1268111

분자량

170.16

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Soluble in water (50 mg/ml), DMSO (>10 mg/ml), chloroform (10 mg/ml), ethyl acetate (>10 mg/ml), and acetonitrile (>10 mg/ml)
• 감도: Moisture sensitive
• 녹는점(°C): 83°C-87°C
• 분자량: 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