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

CAS: 1338320-94-7 Cat. No.: M647855 분자식: C₁₇H₁₆N₂O₄S 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥96%

보관 조건

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

배송

Wet ice

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥96%

이름과 식별자

• 정식 스마일: 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+
• 이성체 SMILES: C1CN(C2=C1C=C(C=C2)/C=C/C(=O)NO)S(=O)(=O)C3=CC=CC=C3
• 대체 CAS: 1338320-94-7
• PubChem CID: 53464642
• MeSH 용어: 3-(1-benzenesulfonyl-2,3-dihydro-1H-indol-5-yl)-N-hydroxyacrylamide;MPT0E028
• 분자량: 344.38

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (290.38 mM; Need ultrasonic)
• 분자량: 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