GCN2-IN-1 - Moligand™,≥98% , CAS No.1448693-69-3

CAS: 1448693-69-3 Cat. No.: G649297 Molecular Weight: 402.41 PubChem CID: 89720372

GRADE & PURITY Moligand™, ≥98%

Synonyms

A-92 | 3-(1H-Indazol-6-yl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

GCN2-IN-1 (A-92) is a potent general control nonderepressible 2 kinase ( GCN2 ) inhibitor with an IC 50 of <0.3 μM in the enzyme assay and an IC 50 of 0.3-3 μM in the cell assay

In Vitro

GCN2-IN-1 (Compound A-92) is a GCN2 inhibitor, which may be useful as a chemotherapeutic drug for the treatment of cancer. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:eIF2

Specifications

Synonyms

A-92 | 3-(1H-Indazol-6-yl)-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-3H-[1, 2, 3]triazolo[4, 5-d]pyrimidin-5-amine

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

GCN2-IN-1 (A-92) is a potent general control nonderepressible 2 kinase ( GCN2 ) inhibitor with an IC 50 of <0.3 μM in the enzyme assay and an IC 50 of 0.3-3 μM in the cell assay.

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1COCCC1N2C=C(C=N2)NC3=NC=C4C(=N3)N(N=N4)C5=CC6=C(C=C5)C=NN6
• IUPAC Name: 3-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-4-yl]triazolo[4,5-d]pyrimidin-5-amine
• InChIKey: CFNFLNGJQOHNPR-UHFFFAOYSA-N
• INCHI: 1S/C19H18N10O/c1-2-15(7-16-12(1)8-21-25-16)29-18-17(26-27-29)10-20-19(24-18)23-13-9-22-28(11-13)14-3-5-30-6-4-14/h1-2,7-11,14H,3-6H2,(H,21,25)(H,20,23,24)
• Isomeric SMILES: C1COCCC1N2C=C(C=N2)NC3=NC=C4C(=N3)N(N=N4)C5=CC6=C(C=C5)C=NN6
• PubChem CID: 89720372
• Molecular Weight: 402.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Triazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Triazolopyrimidines
• Alternative Parents: Indazoles Aminopyrimidines and derivatives Oxanes Benzenoids Triazoles Pyrazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzopyrazole - Indazole - Triazolopyrimidine - Aminopyrimidine - Oxane - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Triazole - 1,2,3-triazole - Ether - Dialkyl ether - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• 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 : 60 mg/mL (149.10 mM; Need ultrasonic and warming)
• Sensitivity: light sensitive
• Molecular Weight: 402.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 402.167 Da
• Monoisotopic Mass: 402.167 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 592.000
• 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