MKC9989 - Moligand™, ≥98% , CAS No.1338934-20-5

CAS: 1338934-20-5 Cat. No.: M647927 Fórmula: C₁₇H₂₀O₇ Peso molecular: 336.34 PubChem CID: 89542001

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

MKC9989 is a Hydroxy aryl aldehydes ( HAA ) inhibitor and also inhibits IRE1α with an IC 50 of 0.23 to 44 μM.

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CCOCCOC
• IUPAC Name: 7-hydroxy-6-methoxy-3-[2-(2-methoxyethoxy)ethyl]-4-methyl-2-oxochromene-8-carbaldehyde
• InChIKey: QSVDQIXSUDHAOF-UHFFFAOYSA-N
• INCHI: 1S/C17H20O7/c1-10-11(4-5-23-7-6-21-2)17(20)24-16-12(10)8-14(22-3)15(19)13(16)9-18/h8-9,19H,4-7H2,1-3H3
• SMILES isoméricas: CC1=C(C(=O)OC2=C(C(=C(C=C12)OC)O)C=O)CCOCCOC
• PubChem CID: 89542001
• Termos de entrada MeSH: MKC9989
• Peso molecular: 336.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Hydroxycoumarins
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxycoumarins
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Phenols Aryl-aldehydes Alkyl aryl ethers Vinylogous acids Heteroaromatic compounds Lactones Oxacyclic compounds Dialkyl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 7-hydroxycoumarin - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Alkyl aryl ether - Aryl-aldehyde - Pyranone - Phenol - Benzenoid - Pyran - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic oxygen compound - Aldehyde - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : ≥ 50 mg/mL (148.66 mM)
• Peso molecular: 336.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 336.121 Da
• Monoisotopic Mass: 336.121 Da
• Topological Polar Surface Area: 91.300 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 487.000
• 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