LDN-192960 hydrochloride - ≥99% , CAS No.2309172-48-1

CAS: 2309172-48-1 Cat. No.: L648632 Molecular Weight: 401.35 PubChem CID: 91885401

GRADE & PURITY ≥99%

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

LDN-192960 hydrochloride is an inhibitor of Haspin and Dual-specificity Tyrosine-regulated Kinase 2 (DYRK2) with IC 50 s of 10 nM and 48 nM, respectively

In Vitro

LDN-192960 hydrochloride (10 μM) is selective and inhibits ten of the other kinases by ≥90%, with only five being potently inhibited (IC 50 <1 μM), including CLK1 (IC 50 =0.21 μM), DYRK1A (IC 50 = 0.10 μM), DYRK2 (IC 50 =2 nM), DYRK3 (IC 50 =19 nM) and PIM1 (IC 50 =0.72 μM). LDN-0192960 hydrochloride (0-5 μM; 2 hours) demonstrates that the classical Haspin inhibition phenotype by reducing levels of p-Thr3H3 in HeLa cells overexpressing Haspin with an EC 50 of 1.17 μM. LDN-0192960 hydrochloride (0-1 μM; 1 hour incubation in the presence of nocodazole and MG132) demonstrates the classical Haspin inhibition phenotype by reducing levels of p-Thr3H3 in HeLa cells synchronized in mitosis with an EC 50 of 0.02 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:IC50: 10 nM (Haspin),48 nM (DYRK2)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

LDN-192960 hydrochloride is an inhibitor of Haspin and Dual-specificity Tyrosine-regulated Kinase 2 (DYRK2) with IC 50 s of 10 nM and 48 nM, respectively.

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCN)OC.Cl.Cl
• IUPAC Name: 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine;dihydrochloride
• InChIKey: FNHCUCJBABESJB-UHFFFAOYSA-N
• INCHI: 1S/C18H20N2O2S.2ClH/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16;;/h4-7,10-11H,3,8-9,19H2,1-2H3;2*1H
• Isomeric SMILES: COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCN)OC.Cl.Cl
• PubChem CID: 91885401
• Molecular Weight: 401.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: Anisoles Alkylarylthioethers Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridine - Aryl thioether - Anisole - Phenol ether - Alkyl aryl ether - Alkylarylthioether - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Thioether - Sulfenyl compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Primary amine - Hydrochloride - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine 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: DMSO : 7.14 mg/mL (17.79 mM; Need ultrasonic)
• Molecular Weight: 401.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 400.078 Da
• Monoisotopic Mass: 400.078 Da
• Topological Polar Surface Area: 82.700 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 343.000
• 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: 3

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