ML329 - 10mM in DMSO , CAS No.19992-50-8

CAS: 19992-50-8 Cat. No.: M422431 Formula: C₁₆H₁₂N₂O₄S Peso molecolare: 328.34

GRADE & PURITY 10mM in DMSO

Synonyms

HY-101464 | 4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide | ML329 | ML-329 | SCHEMBL16296690 | BS-15787 | 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonamide | 4-((1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzenesulfonamide | CH

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinonimi

HY-101464 | 4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide | ML329 | ML-329 | SCHEMBL16296690 | BS-15787 | 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonamide | 4-((1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzenesulfonamide | CH

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Tipo di azione

INHIBITOR

Nomi e identificatori

• Pubchem Sid: 528765525
• Sorrisi canonici: C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)N
• IUPAC Name: 4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide
• InChIKey: CSYFFQVEQXEIAB-UHFFFAOYSA-N
• INCHI: 1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H,(H2,17,21,22)
• Isomeri SMILES: C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)N
• Peso molecolare: 328.34
• Reaxy-Rn: 3068336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3068336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes
      • Subclass Naphthoquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Naphthoquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthoquinones
• Alternative Parents: Aminobenzenesulfonamides Benzenesulfonyl compounds Quinones Aryl ketones Aniline and substituted anilines Secondary alkylarylamines Organosulfonamides Vinylogous amides Aminosulfonyl compounds Enamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthoquinone - Aminobenzenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Quinone - Aryl ketone - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Organosulfonic acid amide - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Enamine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Amine - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 328.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 328.052 Da
• Monoisotopic Mass: 328.052 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 627.000
• 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