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FLT3-ITD-IN-3

CAT: 0804-HY-173214Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-173214Size:1 Each
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Description
FLT3-ITD-IN-3 (13v), an orally active FLT3-ITD (FLT3 internal tandem duplication) inhibitor, disrupts FLT3 signal transduction and induced G0/G1 cell cycle arrest and apoptosis. FLT3-ITD-IN-3 (13v) is used in the research of acute myeloid leukemia (AML) [1].
CAS Number
3018150-80-3
UNSPSC
12352005
Target
Apoptosis; FLT3
Related Pathways
Apoptosis; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Smiles
O=C(C(C(C)=C1)=NN(C2=CC(Cl)=CC=C2F)C1=O)NC3=CC=C(OC4=CC(NC(N5CC(O)C5)=O)=NC=C4)C(F)=C3
Molecular Formula
C27H21ClF2N6O5
Molecular Weight
582.94
References & Citations
[1]Shengfei Wu, et al. Design, synthesis, and biological evaluation of 4- (2-fluorophenoxy) pyridine derivatives as novel FLT3-ITD inhibitors. Eur J Med Chem. 2025 May 5:289:117492.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

1-(5-chloro-2-fluorophenyl)-N-[3-fluoro-4-[[2-[(3-hydroxyazetidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CAS Number3018150-80-3
PubChem CID175430322
IUPAC Name1-(5-chloro-2-fluorophenyl)-N-[3-fluoro-4-[[2-[(3-hydroxyazetidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
Molecular FormulaC27H21ClF2N6O5
Molecular Weight582.9
XLogP2.6
Topological Polar Surface Area136
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1070
SMILES
CC1=CC(=O)N(N=C1C(=O)NC2=CC(=C(C=C2)OC3=CC(=NC=C3)NC(=O)N4CC(C4)O)F)C5=C(C=CC(=C5)Cl)F
InChI
InChI=1S/C27H21ClF2N6O5/c1-14-8-24(38)36(21-9-15(28)2-4-19(21)29)34-25(14)26(39)32-16-3-5-22(20(30)10-16)41-18-6-7-31-23(11-18)33-27(40)35-12-17(37)13-35/h2-11,17,37H,12-13H2,1H3,(H,32,39)(H,31,33,40)
InChIKey
XSEYQSRWZIREBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(5-chloro-2-fluorophenyl)-N-[3-fluoro-4-[[2-[(3-hydroxyazetidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CAS: 3018150-80-3
CID: 175430322
Formula: C27H21ClF2N6O5
MW: 582.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight582.9
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass582.1230018
Monoisotopic Mass582.1230018
Topological Polar Surface Area136 Ų
Heavy Atom Count41
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes