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1254053-43-4

1254053-43-4 structural image
Product Name: Gilteritinib
Formula: C29H44N8O3
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 696 ºC at 760 mm Hg
Solubility <1 mg/mL
LogP 4.35

COMPUTED DESCRIPTORS

Molecular Weight 552.7 g/mol
XLogP3 3.5
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 9
Exact Mass 552.35363730 g/mol
Monoisotopic Mass 552.35363730 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 785
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Gilteritinib is a member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation. It has a role as an apoptosis inducer, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an antineoplastic agent. It is a N-methylpiperazine, a member of piperidines, a secondary amino compound, a monomethoxybenzene, a member of pyrazines, a primary carboxamide, an aromatic amine and a member of oxanes.