SGI-1776 base libre - Moligand™, ≥98% , Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of histone H3 associated protein kinase;Inhibitor of Pim-1 proto-oncogene; serine/threonine kinase;Inhibitor of Pim-2 proto-oncogene; serine/threonine ki, Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of histone H3 associated protein kinase;Inhibitor of Pim-1 proto-oncogene; serine/threonine kinase;Inhibitor of Pim-2 proto-oncogene; serine/threonine kinase;Inhibitor of Pim-3 proto-oncogene;

CAS: 1025065-69-3 Cat. No.: S126376 Peso molecular: 405.42 PubChem CID: 24795070

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-f]pyridazin-6-amine | Imidazo[1,2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]- | NSC800883 | NSC-800883 | SB19298 | AC-28432 | N-((1-Me

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

SGI-1776 es un nuevo inhibidor competitivo ATP de Pim1 con IC50 de 7 nM, 50 y 10 veces selectivo frente a Pim2 y Pim3, también potente frente a Flt3 y haspin
Un potente apoptótico dirigido contra Pim y FLT3 en células AML y CLL.

Specifications

Sinónimos

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[2, 1-f]pyridazin-6-amine | Imidazo[1, 2-b]pyridazin-6-amine, N-[(1-methyl-4-piperidinyl)methyl]-3-[3-(trifluoromethoxy)phenyl]- | NSC800883 | NSC-800883 | SB19298 | AC-28432 | N-((1-Me

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

El SGI-1776 es un nuevo inhibidor ATP-competitivo de Pim-1, Pim-2 y Pim-3 (IC50 = 7, 363 y 69 nM, respectivamente). Además de inhibir Pim, este compuesto también inhibe FLT3 (IC50 = 44 nM). SGI-1776 también es citotóxico en células primarias de LMA, indep

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of histone H3 associated protein kinase;Inhibitor of Pim-1 proto-oncogene; serine/threonine kinase;Inhibitor of Pim-2 proto-oncogene; serine/threonine kinase;Inhibitor of Pim-3 proto-oncogene;

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. Consulte la SDS para obtener más información. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2
• IUPAC Name: N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
• InChIKey: MHXGEROHKGDZGO-UHFFFAOYSA-N
• INCHI: 1S/C20H22F3N5O/c1-27-9-7-14(8-10-27)12-24-18-5-6-19-25-13-17(28(19)26-18)15-3-2-4-16(11-15)29-20(21,22)23/h2-6,11,13-14H,7-10,12H2,1H3,(H,24,26)
• Isómeros SMILES: CN1CCC(CC1)CNC2=NN3C(=NC=C3C4=CC(=CC=C4)OC(F)(F)F)C=C2
• PubChem CID: 24795070
• Peso molecular: 405.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Phenoxy compounds Phenol ethers Secondary alkylarylamines Aminopyridazines Piperidines N-substituted imidazoles Imidolactams Heteroaromatic compounds Trihalomethanes Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organooxygen compounds Organopnictogen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Phenoxy compound - Phenol ether - Aminopyridazine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Benzenoid - Piperidine - Pyridazine - Heteroaromatic compound - Trihalomethane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Hydrocarbon derivative - Halomethane - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

Objetivos asociados (humanos)

HASPIN Tchem Serine/threonine-protein kinase haspin (1 Activities)

Discover Target: HASPIN

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FLT3 Tclin Receptor-type tyrosine-protein kinase FLT3 (2 Activities)

Discover Target: FLT3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

IRAK3 Tchem Interleukin-1 receptor-associated kinase 3 (1 Activities)

Discover Target: IRAK3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PIM1 Tchem Serine/threonine-protein kinase pim-1 (17 Activities)

Discover Target: PIM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PIM2 Tchem Serine/threonine-protein kinase pim-2 (1 Activities)

Discover Target: PIM2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PIM3 Tchem Serine/threonine-protein kinase pim-3 (3 Activities)

Discover Target: PIM3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PRKAG2 Tchem 5'-AMP-activated protein kinase subunit gamma-2 (1 Activities)

Discover Target: PRKAG2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

KCNH2 Tclin Potassium voltage-gated channel subfamily H member 2 (3 Activities)

Discover Target: KCNH2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: DMSO ≥80mg/mL Water <1.2mg/mL Ethanol ≥80mg/mL
• Peso molecular: 405.400 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 405.178 Da
• Monoisotopic Mass: 405.178 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 529.000
• 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