Imofinostat (MPT0E028) - Moligand™, ≥96% , CAS No.1338320-94-7

CAS: 1338320-94-7 Cat. No.: M647855 Formule: C₁₇H₁₆N₂O₄S Poids moléculaire: 344.38 PubChem CID: 53464642

GRADE & PURITY Moligand™, ≥96%

Synonyms

MPT0E028 | HY-124295 | Q27289720 | 1338320-94-7 | (E)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide | T65L58FI65 | 2-Propenamide, 3-(2,3-dihydro-1-(phenylsulfonyl)-1H-indol-5-yl)-N-hydroxy- | MS-25283 | SCHEMBL2511433 | UNII-T65L58

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Vue d’ensemble

Imofinostat is a selective, available pan-HDAC inhibitor with IC₅₀ values of 53.0/106.2/29.5 nM against HDAC1/HDAC2/HDAC6 in HCT116 cells. In B-cell lymphoma, Imofinostat induces cell cycle arrest and apoptosis whilst inhibiting Akt phosphorylation, demonstrating anticancer activity across multiple tumour types.

Specifications

Synonymes

MPT0E028 | HY-124295 | Q27289720 | 1338320-94-7 | (E)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide | T65L58FI65 | 2-Propenamide, 3-(2,3-dihydro-1-(phenylsulfonyl)-1H-indol-5-yl)-N-hydroxy- | MS-25283 | SCHEMBL2511433 | UNII-T65L58

Spécifications et pureté

Moligand™, ≥96%

Conditions de stockage de stockage

Store at 2-8°C,Protected from light,Desiccated

Expédié en

Wet ice

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

≥96%

Noms et identifiants

• Sourires canoniques: C1CN(C2=C1C=C(C=C2)C=CC(=O)NO)S(=O)(=O)C3=CC=CC=C3
• IUPAC Name: (E)-3-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]-N-hydroxyprop-2-enamide
• InChIKey: MGTIFSBCGGAZDB-VQHVLOKHSA-N
• INCHI: 1S/C17H16N2O4S/c20-17(18-21)9-7-13-6-8-16-14(12-13)10-11-19(16)24(22,23)15-4-2-1-3-5-15/h1-9,12,21H,10-11H2,(H,18,20)/b9-7+
• Isomères SMILES: C1CN(C2=C1C=C(C=C2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=CC=C3
• CAS alternatif: 1338320-94-7
• PubChem CID: 53464642
• Termes d'entrée MeSH: 3-(1-benzenesulfonyl-2,3-dihydro-1H-indol-5-yl)-N-hydroxyacrylamide;MPT0E028
• Poids moléculaire: 344.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Cinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Cinnamic acids and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acids and derivatives
• Alternative Parents: Benzenesulfonamides Indoles and derivatives Benzenesulfonyl compounds Styrenes Organosulfonamides Sulfonyls Hydroxamic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Cinnamic acid or derivatives - Benzenesulfonamide - Indole or derivatives - Benzenesulfonyl group - Styrene - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Hydroxamic acid - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
• 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: DMSO : 100 mg/mL (290.38 mM; Need ultrasonic)
• Poids moléculaire: 344.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 344.083 Da
• Monoisotopic Mass: 344.083 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 578.000
• 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