KNK 437 (Heat Shock Protein Inhibitor I) - ≥98% , CAS No.218924-25-5

CAS: 218924-25-5 Cat. No.: K276031 Molecular Weight: 245.23

GRADE & PURITY ≥98%

Synonyms

(3E)-3-(1,3-Benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde | A899531 | KNK437 | 3-((2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE)-2-OXOPYRROLIDINE-1-CARBALDEHYDE | AS-72508 | 1-Pyrrolidinecarboxaldehyde, 3-(1,3-benzodioxol-5-ylmethylene)-2-oxo- | (E)

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Product Application：
KNK437 has been used: as a heat shock factor 1 (HSF1) inhibitor to study its effects on the inhibition of viability and apoptosis activation in chemoresistant mice cells as an HSF1 inhibitor to study its effects on viability and apoptosis of colorectal cancer cells as a heat shock protein 70 (HSP70) inhibitor to study its effects on glutamine-induced HSP70 and inflammatory mediator release

Specifications

Synonyms

(3E)-3-(1, 3-Benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde | A899531 | KNK437 | 3-((2H-1, 3-BENZODIOXOL-5-YL)METHYLIDENE)-2-OXOPYRROLIDINE-1-CARBALDEHYDE | AS-72508 | 1-Pyrrolidinecarboxaldehyde, 3-(1, 3-benzodioxol-5-ylmethylene)-2-oxo- | (E)

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

KNK437 inhibits the accumulation of heat shock proteins (including hsp -27, -40, -70, -72 and -105). KNK437 inhibits thermotolerance in cells with greater potency than quercetin. KNK437 is a benzylidene lactam compound.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Note

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Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770675
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770675
• Canonical Smiles: C1CN(C(=O)C1=CC2=CC3=C(C=C2)OCO3)C=O
• IUPAC Name: (3E)-3-(1,3-benzodioxol-5-ylmethylidene)-2-oxopyrrolidine-1-carbaldehyde
• InChIKey: LZGGUFLRKIMBDQ-BJMVGYQFSA-N
• INCHI: 1S/C13H11NO4/c15-7-14-4-3-10(13(14)16)5-9-1-2-11-12(6-9)18-8-17-11/h1-2,5-7H,3-4,8H2/b10-5+
• Isomeric SMILES: C\1CN(C(=O)/C1=C/C2=CC3=C(C=C2)OCO3)C=O
• Molecular Weight: 245.23
• Reaxy-Rn: 15489492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15489492&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzodioxoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzodioxoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzodioxoles
• Alternative Parents: Pyrrolidine-2-ones N-substituted carboxylic acid imides Benzenoids Dicarboximides Lactams Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzodioxole - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Lactam - Acetal - Carboxylic acid derivative - Azacycle - Oxacycle - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
• 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: Soluble in DMSO to 50 mM
• Molecular Weight: 245.230 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 245.069 Da
• Monoisotopic Mass: 245.069 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 392.000
• 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