Telomerase-IN-2 - ≥99% , CAS No.1610878-54-0

CAS: 1610878-54-0 Cat. No.: T646997 Molecular Weight: 633.69 PubChem CID: 76285870

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Telomerase-IN-2 is a telomerase inhibitor, and inhibits telomerase activity by decreasing expression of dyskerin, with an IC 50 of 0.89 µM. Anti-cancer activity

Form:Solid

IC50& Target:IC50: 0.89 µM (Telomerase)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Telomerase-IN-2 is a telomerase inhibitor, and inhibits telomerase activity by decreasing expression of dyskerin, with an IC 50 of 0.89u2009µM. Anti-cancer activity.

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCN4CCN(CC4)C(=O)C5=CC=NC=C5
• IUPAC Name: 5,7-dimethoxy-3-[4-[4-(pyridine-4-carbonyl)piperazin-1-yl]butoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
• InChIKey: HDOUAPSDPPFIGT-UHFFFAOYSA-N
• INCHI: 1S/C34H39N3O9/c1-40-24-20-25(41-2)29-26(21-24)46-31(23-18-27(42-3)32(44-5)28(19-23)43-4)33(30(29)38)45-17-7-6-12-36-13-15-37(16-14-36)34(39)22-8-10-35-11-9-22/h8-11,18-21H,6-7,12-17H2,1-5H3
• Isomeric SMILES: COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCN4CCN(CC4)C(=O)C5=CC=NC=C5
• PubChem CID: 76285870
• Molecular Weight: 633.69

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Flavonoids
      • Subclass O-methylated flavonoids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Flavonoids
• Subclass: O-methylated flavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-O-methylated flavonoids
• Alternative Parents: 3'-O-methylated flavonoids 4'-O-methylated flavonoids 5-O-methylated flavonoids Flavones Chromones Pyridinecarboxylic acids and derivatives Anisoles Phenoxy compounds Methoxybenzenes Pyranones and derivatives Alkyl aryl ethers N-alkylpiperazines Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous esters Trialkylamines Amino acids and derivatives Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - Flavone - Chromone - Benzopyran - 1-benzopyran - Pyridine carboxylic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyranone - N-alkylpiperazine - Pyridine - Benzenoid - Pyran - Piperazine - Monocyclic benzene moiety - 1,4-diazinane - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 7-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C7 atom of the flavonoid backbone.
• 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: DMSO : 250 mg/mL (394.51 mM; Need ultrasonic)
• Molecular Weight: 633.700 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 13
• Exact Mass: 633.269 Da
• Monoisotopic Mass: 633.269 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 46
• Formal Charge: 0
• Complexity: 1020.000
• 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