HMN-176 - 10mM in DMSO , CAS No.173529-10-7

CAS: 173529-10-7 Cat. No.: H422125 Fórmula: C₂₀H₁₈N₂O₄S Peso molecular: 382.43 PubChem CID: 12134997

GRAU & PUREZA 10mM in DMSO

Synonyms

HMN-176|173529-10-7|(E)-4-(2-(2-(N-((p-Methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine 1-oxide|(NE)-N-[(6E)-6-[2-(1-hydroxypyridin-4-ylidene)ethylidene]cyclohexa-2,4-dien-1-ylidene]-4-methoxybenzenesulfonamide|HMN 176|(E)-4-(2-((4-methoxyphenyl)sulfo

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

HMN-176 HMN-176 is an active metabolite of HMN-214, which has a potent antitumor activity in mouse xenograft models. HMN-176 effectively inhibits PLK-1 by interference with its normal subcellular spatial distribution at centrosomes and along the cytoskeletal structure.

Especificações

Sinónimos

HMN-176 | 173529-10-7 | (E)-4-(2-(2-(N-((p-Methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine 1-oxide | (NE)-N-[(6E)-6-[2-(1-hydroxypyridin-4-ylidene)ethylidene]cyclohexa-2,4-dien-1-ylidene]-4-methoxybenzenesulfonamide | HMN 176 | (E)-4-(2-((4-methoxyphenyl)sulfo

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

HMN-176 is an active metabolite of HMN-214, which has a potent antitumor activity in mouse xenograft models. HMN-176 effectively inhibits PLK-1 by interference with its normal subcellular spatial distribution at centrosomes and along the cytoskeletal stru

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Tipo de ação

INHIBITOR

Propriedades do produto

ALogP

2.292

Contagem HBD

1

Ligação rotativa

6

Nomes e identificadores

Pubchem Sid

528764808

Sorrisos canónicos

COC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC=CC2=CC=C3C=CN(C=C3)O

IUPAC Name

(NE)-N-[(6E)-6-[2-(1-hydroxypyridin-4-ylidene)ethylidene]cyclohexa-2,4-dien-1-ylidene]-4-methoxybenzenesulfonamide

InChIKey

MYEJOKLXXLVMPR-STNHEDLKSA-N

INCHI

1S/C20H18N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)21-20-5-3-2-4-17(20)7-6-16-12-14-22(23)15-13-16/h2-15,23H,1H3/b17-7+,21-20+

SMILES isoméricas

COC1=CC=C(C=C1)S(=O)(=O)/N=C/2\C=CC=C\C2=C/C=C3C=CN(C=C3)O

PubChem CID

12134997

Peso molecular

382.43

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 Phenoxy compounds Methoxybenzenes Anisoles Dihydropyridines Alkyl aryl ethers Sulfonyls Organosulfonic acids and derivatives N-organohydroxylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Dihydropyridine - Hydropyridine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - N-organohydroxylamine - Azacycle - Ether - Organoheterocyclic compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 76
• DMSO (mM) Solubilidade máxima: 198.729179196193
• Água (mg/mL) Solubilidade máxima: ＜1
• Peso molecular: 382.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 382.099 Da
• Monoisotopic Mass: 382.099 Da
• Topological Polar Surface Area: 87.600 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 846.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1