HMN-176 - ≥98% , CAS No.173529-10-7

CAS: 173529-10-7 Cat. No.: H413336 Formula: C₂₀H₁₈N₂O₄S Peso molecolare: 382.43 PubChem CID: 12134997

GRADE & PURITY ≥98%

Synonyms

SCHEMBL5173597 | Benzenesulfonamide, 4-methoxy-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)- | YGA52910 | HMN 176 | (NE)-N-[(6E)-6-[2-(1-hydroxypyridin-4-ylidene)ethylidene]cyclohexa-2,4-dien-1-ylidene]-4-methoxybenzenesulfonamide | (E)-4-((2-N-(4-Me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

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.

Specifications

Sinonimi

SCHEMBL5173597 | Benzenesulfonamide, 4-methoxy-N-(2-((1E)-2-(1-oxido-4-pyridinyl)ethenyl)phenyl)- | YGA52910 | HMN 176 | (NE)-N-[(6E)-6-[2-(1-hydroxypyridin-4-ylidene)ethylidene]cyclohexa-2,4-dien-1-ylidene]-4-methoxybenzenesulfonamide | (E)-4-((2-N-(4-Me

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Proprietà del prodotto

• ALogP: 2.292
• Conteggio HBD: 1
• Legame rotabile: 6

Nomi e identificatori

• Pubchem Sid: 504766925
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766925
• Sorrisi canonici: 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+
• Isomeri SMILES: 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 molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 76 mg/mL (198.72 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO (mg/mL) Solubilità massima: 76
• DMSO (mM) Solubilità massima: 198.729179196193
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 173529-10-7, the molecular formula is C20H18N2O4S, and the molecular weight is 382.43 g/mol. InChIKey MYEJOKLXXLVMPR-STNHEDLKSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.