WYE-176272 - 10mM in DMSO , CAS No.307548-90-9

CAS: 307548-90-9 Cat. No.: W423181 Formule: C₁₆H₁₆O₅ Poids moléculaire: 288.3 PubChem CID: 2771985

QUALITÉ & PURETÉ 10mM in DMSO

Synonyms

FT-0684262 | 2-[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta-[c]chromen-7-yl)oxy]propanoic acid | 2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoic acid | AKOS016389846 | Oprea1_516131 | 2-[(6-Methyl-4-oxo-1,2,3,4-tetrahydrobenz

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

inhibitor of microbial heme oxygenase,

Spécifications

Synonymes

FT-0684262 | 2-[(6-Methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta-[c]chromen-7-yl)oxy]propanoic acid | 2-[(6-methyl-4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]propanoic acid | AKOS016389846 | Oprea1_516131 | 2-[(6-Methyl-4-oxo-1,2,3,4-tetrahydrobenz

Spécifications et pureté

10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

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

Noms et identifiants

Sourires canoniques

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(C)C(=O)O

IUPAC Name

2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoic acid

InChIKey

DWNZLQPWQLNPRS-UHFFFAOYSA-N

INCHI

1S/C16H16O5/c1-8-13(20-9(2)15(17)18)7-6-11-10-4-3-5-12(10)16(19)21-14(8)11/h6-7,9H,3-5H2,1-2H3,(H,17,18)

Isomères SMILES

CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OC(C)C(=O)O

PubChem CID

2771985

Poids moléculaire

288.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: Phenoxyacetic acid derivatives 1-benzopyrans Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Phenoxyacetate - Benzopyran - 1-benzopyran - Alkyl aryl ether - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

Cibles associées (non humaines)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

pigA Heme oxygenase (252 Activities)

Discover Target: pigA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 288.290 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 288.1 Da
• Monoisotopic Mass: 288.1 Da
• Topological Polar Surface Area: 72.800 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 495.000
• 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