CHR 6494 trifluoroacetate - ≥98%(HPLC) , CAS No.1458630-17-5

CAS: 1458630-17-5 Cat. No.: C288680 Molecular Weight: 406.36

GRADE & PURITY ≥98%(HPLC)

Synonyms

3-(1H-Indazol-5-yl)-N-propylimidazo[1,2-b]pyridazin-6-amine trifluoroacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product description：

CHR-6494 TFA is a potent inhibitor of haspin, with an IC50 of 2 nM. CHR-6494 TFA inhibits histone H3T3 phosphorylation. CHR-6494 TFA induces the apoptosis of cancer cells, including melanoma and breast cancer. CHR-6494 TFA can be used in the research of cancer.

Specifications

Synonyms

3-(1H-Indazol-5-yl)-N-propylimidazo[1, 2-b]pyridazin-6-amine trifluoroacetate

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Potent and selective haspin kinase inhibitor (IC50= 2 nM). Selective over 27 other protein kinases including Aurora B kinase. Induces cell cycle arrest at G2/M, inhibits cell proliferation and promotes apoptosis in multiple cancer cell lines. Inhibits ang

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.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 488202516
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202516
• Canonical Smiles: CCCNC1=NN2C(=NC=C2C3=CC4=C(C=C3)NN=C4)C=C1.C(=O)(C(F)(F)F)O
• IUPAC Name: 3-(1H-indazol-5-yl)-N-propylimidazo[1,2-b]pyridazin-6-amine;2,2,2-trifluoroacetic acid
• InChIKey: ILWYDZNXJQESDI-UHFFFAOYSA-N
• INCHI: 1S/C16H16N6.C2HF3O2/c1-2-7-17-15-5-6-16-18-10-14(22(16)21-15)11-3-4-13-12(8-11)9-19-20-13;3-2(4,5)1(6)7/h3-6,8-10H,2,7H2,1H3,(H,17,21)(H,19,20);(H,6,7)
• Isomeric SMILES: CCCNC1=NN2C(=NC=C2C3=CC4=C(C=C3)NN=C4)C=C1.C(=O)(C(F)(F)F)O
• Molecular Weight: 406.36
• Reaxy-Rn: 38829337
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38829337&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzopyrazoles
      • Subclass Indazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzopyrazoles
• Subclass: Indazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indazoles
• Alternative Parents: Aminopyridazines Benzenoids Imidolactams N-substituted imidazoles Alpha-halocarboxylic acids Pyrazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Amines Carbonyl compounds Organofluorides Alkyl fluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: Benzopyrazole - Indazole - Aminopyridazine - N-substituted imidazole - Pyridazine - Benzenoid - Imidolactam - Alpha-halocarboxylic acid - Heteroaromatic compound - Pyrazole - Alpha-halocarboxylic acid or derivatives - Azole - Imidazole - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organohalogen compound - Carbonyl group - Organic oxygen compound - Organofluoride - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
• 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: Solvent:DMSO, Max Conc. mg/mL: 40.64, Max Conc. mM: 100
• Molecular Weight: 406.400 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 406.137 Da
• Monoisotopic Mass: 406.137 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 461.000
• 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: 2

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