ZLDI-8 - Moligand™,≥98% , CAS No.667880-38-8

CAS: 667880-38-8 Cat. No.: Z648173 Molecular Weight: 433.5 PubChem CID: 989566

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-((1-(2-(2,4-Dimethylphenoxy)ethyl)-2-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ZLDI-8 (0.03-30 μM; 6-72 hours; MHCC97-H cells) treatment reduces cell viability in a time- and dose-dependent manner. ZLDI-8 (1-10 μM; 6-72 hours; MHCC97-H cells) significantly decreases the level of NICD and the accumulation of NICD in the nucleus. ZLDI-8 could also reduce the expression of pro-survival/anti-apoptosis regulators, Survivin and cIAP1/2. And also increases the expression of epithelial marker E-Cadherin and reduced mesenchymal markers N-Cadherin and Vimentin. ZLDI-8 enhances chemotherapy effects on tumor cell proliferation blockage, induction of apoptosis and cell-cycle arrest by inhibiting Notch pathway and blocking chemical resistance.

Specifications

Synonyms

5-((1-(2-(2, 4-Dimethylphenoxy)ethyl)-2-methyl-1H-indol-3-yl)methylene)-2-thioxodihydropyrimidine-4, 6(1H, 5H)-dione

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

ZLDI-8 is a Notch activating/cleaving enzyme ADAM-17 inhibitor and inhibits the cleavage of Notch protein. ZLDI-8 decreases the expression of pro-survival/anti-apoptosis and epithelial-mesenchymal transition (EMT) related proteins. ZLDI-8 is also a compet

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.

Grade

Moligand™

Action Type

ACTIVATOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C=C1)OCCN2C(=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O)C)C
• IUPAC Name: 5-[[1-[2-(2,4-dimethylphenoxy)ethyl]-2-methylindol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
• InChIKey: GNBZGGYWSRGVBG-UHFFFAOYSA-N
• INCHI: 1S/C24H23N3O3S/c1-14-8-9-21(15(2)12-14)30-11-10-27-16(3)18(17-6-4-5-7-20(17)27)13-19-22(28)25-24(31)26-23(19)29/h4-9,12-13H,10-11H2,1-3H3,(H2,25,26,28,29,31)
• Isomeric SMILES: CC1=CC(=C(C=C1)OCCN2C(=C(C3=CC=CC=C32)C=C4C(=O)NC(=S)NC4=O)C)C
• PubChem CID: 989566
• Molecular Weight: 433.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass N-alkylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: N-alkylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylindoles
• Alternative Parents: Thiobarbituric acid derivatives Indoles m-Xylenes Phenoxy compounds Phenol ethers Alkyl aryl ethers Diazinanes Substituted pyrroles Heteroaromatic compounds Thioureas Azacyclic compounds Carboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-alkylindole - Indole - Thiobarbiturate - Phenoxy compound - M-xylene - Xylene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - 1,3-diazinane - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Thiourea - Azacycle - Ether - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 1-position.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 62.5 mg/mL (144.17 mM; Need ultrasonic)
• Sensitivity: Moisture sensitive
• Molecular Weight: 433.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 433.146 Da
• Monoisotopic Mass: 433.146 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 732.000
• 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