CCI-006 - Moligand™, ≥98% , CAS No.292053-42-0

CAS: 292053-42-0 Cat. No.: C650013 Formule: C₁₅H₁₂N₂O₅S Poids moléculaire: 332.33

QUALITÉ & PURETÉ Moligand™, ≥98%

Synonyms

Methyl 2-cyano-3-(5-(4-sulfamoylphenyl)furan-2-yl)acrylate

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

CCI-006 is a selective inhibitor and chemosensitizer of MLL-rearranged leukemia cells, by inhibits mitochondrial respiration resulting in insurmountable mitochondrial depolarization and a pro-apoptotic unfolded protein response (UPR) in a subset of MLL-r leukemia cells

Spécifications

Synonymes

Methyl 2-cyano-3-(5-(4-sulfamoylphenyl)furan-2-yl)acrylate

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

CCI-006 is a selective inhibitor and chemosensitizer of MLL-rearranged leukemia cells, by inhibits mitochondrial respiration resulting in insurmountable mitochondrial depolarization and a pro-apoptotic unfolded protein response (UPR) in a subset of MLL-r

Conditions de stockage de stockage

Store at -20°C,Desiccated

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

Pureté

≥98%

Noms et identifiants

Sourires canoniques

COC(=O)C(=CC1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)C#N

IUPAC Name

methyl (E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate

InChIKey

VEXAKEBSBMAIOB-DHZHZOJOSA-N

INCHI

1S/C15H12N2O5S/c1-21-15(18)11(9-16)8-12-4-7-14(22-12)10-2-5-13(6-3-10)23(17,19)20/h2-8H,1H3,(H2,17,19,20)/b11-8+

Isomères SMILES

COC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)/C#N

Poids moléculaire

332.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Fatty acid esters Organosulfonamides Methyl esters Heteroaromatic compounds Furans Enoate esters Aminosulfonyl compounds Oxacyclic compounds Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Fatty acid ester - Organosulfonic acid amide - Fatty acyl - Furan - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxylic acid ester - Carbonitrile - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Nitrile - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 83.33 mg/mL (250.74 mM)
• Poids moléculaire: 332.300 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 332.047 Da
• Monoisotopic Mass: 332.047 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 620.000
• 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