HMN-176 - ≥98% , CAS No.173529-10-7

CAS: 173529-10-7 Cat. No.: H413336 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Product Properties

• ALogP: 2.292
• HBD Count: 1
• Rotatable Bond: 6

Names and Identifiers

• Pubchem Sid: 504766925
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766925
• Canonical Smiles: 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+
• Isomeric 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
• Molecular Weight: 382.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 76 mg/mL (198.72 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 76
• DMSO(mM) Max Solubility: 198.729179196193
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 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