GCN2iB - 10mM in DMSO , CAS No.2183470-12-2

CAS: 2183470-12-2 Cat. No.: G422624 Summenformel: C₁₈H₁₂ClF₂N₅O₃S Molekulargewicht: 451.83

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

3-​Pyridinesulfonamide,N-​[3-​[2-​(2-​amino-​5-​pyrimidinyl)​ethynyl]​-​2,​4-​difluorophenyl]​-​5-​chloro-​2-​methoxy-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

GCN2iB GCN2iB is an ATP-competitive serine/threonine-protein kinase general control nonderepressible 2 (GCN2) inhibitor with IC50 of 2.4 nM.

Targets

GCN2 (Cell-free assay) 2.4 nM

Cell Research(from reference)

Cell lines：Pancreatic cancer cells, CCRF-CEM cells, MEF cells (GCN2-WT or -KO), CCRF-CEM, MV-4-11, SU.86.86 cells 

Concentrations：37 nM, 110 nM, 330 nM, 1.0 μM 

Incubation Time：4 h, 72 h 

Product Application：

GCN2iB is an intermediate used in the preparation of heterocyclic compounds as GCN2 inhibitors.

Spezifikationen

Synonyme

3-​Pyridinesulfonamide,N-​[3-​[2-​(2-​amino-​5-​pyrimidinyl)​ethynyl]​-​2,​4-​difluorophenyl]​-​5-​chloro-​2-​methoxy-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

GCN2iB is an ATP-competitive serine/threonine-protein kinase general control nonderepressible 2 (GCN2) inhibitor with IC50 of 2.4 nM.

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Namen und Kennungen

Pubchem Sid

528764580

Kanonisches Lächeln

COC1=C(C=C(C=N1)Cl)S(=O)(=O)NC2=C(C(=C(C=C2)F)C#CC3=CN=C(N=C3)N)F

IUPAC Name

N-[3-[2-(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl]-5-chloro-2-methoxypyridine-3-sulfonamide

InChIKey

JGHVXJKGYJYWOP-UHFFFAOYSA-N

INCHI

1S/C18H12ClF2N5O3S/c1-29-17-15(6-11(19)9-23-17)30(27,28)26-14-5-4-13(20)12(16(14)21)3-2-10-7-24-18(22)25-8-10/h4-9,26H,1H3,(H2,22,24,25)

Molekulargewicht

451.83

Reaxy-Rn

34297301

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=34297301&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Sulfanilides Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Organosulfonamides Aryl fluorides Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfanilide - Pyridine-3-sulfonamide - Halobenzene - Fluorobenzene - Aminopyrimidine - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Pyrimidine - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 451.800 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 451.032 Da
• Monoisotopic Mass: 451.032 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 750.000
• 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