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FLT3-IN-15

CAT: 0804-HY-146886Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-146886Size:1 Each
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Description
FLT3-IN-15 is a highly potent and orally active FLT3 inhibitor with IC50s of 0.87 nM and 0.32 nM for FLT3 and FLT3/D835Y, respectively. FLT3-IN-15 can be used for researching acute myeloid leukemia[1].
CAS Number
2435562-99-3
UNSPSC
12352005
Target
FLT3
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/flt3-in-15.html
Solubility
10 mM in DMSO
Smiles
O=C1NC2=C(/C1=C3NC4=CC=CC=C4C/3=N\OCCN5CCNCC5)C=C(C=C2)F.Cl
Molecular Formula
C22H23ClFN5O2
Molecular Weight
443.90
References & Citations
[1]Jeong P, Moon Y, Lee JH, et al. Discovery of orally active indirubin-3'-oxime derivatives as potent type 1 FLT3 inhibitors for acute myeloid leukemia. Eur J Med Chem. 2020;195:112205.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Flt3-IN-15
CAS Number2435562-99-3
PubChem CID162670691
IUPAC Name5-fluoro-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;hydrochloride
Molecular FormulaC22H23ClFN5O2
Molecular Weight443.9
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity668
SMILES
C1CN(CCN1)CCO/N=C/2\C3=CC=CC=C3N=C2C4=C(NC5=C4C=C(C=C5)F)O.Cl
InChI
InChI=1S/C22H22FN5O2.ClH/c23-14-5-6-18-16(13-14)19(22(29)26-18)21-20(15-3-1-2-4-17(15)25-21)27-30-12-11-28-9-7-24-8-10-28;/h1-6,13,24,26,29H,7-12H2;1H/b27-20+;
InChIKey
FYOZPHRPSXFBMH-PQAWYCKWSA-N
Chemical Structure
2D Structure
2D structure of Flt3-IN-15
CAS: 2435562-99-3
CID: 162670691
Formula: C22H23ClFN5O2
MW: 443.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass443.1524308
Monoisotopic Mass443.1524308
Topological Polar Surface Area85.2 Ų
Heavy Atom Count31
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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