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LY2784544 - ≥98%, high purity , Tyrosine-protein kinase JAK2 inhibitor, CAS No.1229236-86-5, Tyrosine-protein kinase JAK2 inhibitor
Basic Description
Synonyms
C23H25ClFN7O | 3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine | AKOS037643413 | D10365 | D78334 | Gandotinib;3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpho
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
LY2784544 is identified as being highly selective inhibitor of JAK2 mutant V617F and has advanced into human clinical trials for the treatment of several myeloproliferative disorders.
Storage Temp
Store at -20°C
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
Mechanism of action
Tyrosine-protein kinase JAK2 inhibitor
Product Description
LY2784544 is a potent JAK2 inhibitor with IC50 of 3 nM, effective in JAK2V617F, 8- and 20-fold selective versus JAK1 and JAK3. Phase 2.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyridazines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminopyridazines
Alternative Parents
Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides N-substituted imidazoles Morpholines Imidolactams Aryl fluorides Pyrazoles Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminopyridazine - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Morpholine - N-substituted imidazole - Oxazinane - Benzenoid - Imidolactam - Pyrazole - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminopyridazines. These are organic compounds containing an amino group attached to a pyridazine 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
INCHI
InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
InChIKey
SQSZANZGUXWJEA-UHFFFAOYSA-N
Smiles
CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F
Isomeric SMILES
CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F
Molecular Weight
469.95
Reaxy-Rn
20329925
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20329925&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO 94 mg/mL (200.02 mM); Water <1 mg/mL (<1 mM); Ethanol 9 mg/mL (19.15 mM)
Molecular Weight
469.900 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
6
Exact Mass
469.179 Da
Monoisotopic Mass
469.179 Da
Topological Polar Surface Area
83.400 Ų
Heavy Atom Count
33
Formal Charge
0
Complexity
644.000
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
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J1521094