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FLT3-IN-33

CAT: 0931-T210615-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T210615-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3035801-67-0
Target
Apoptosis, FLT
Related Pathways
Apoptosis, Angiogenesis, Tyrosine Kinase/Adaptors
Bioactivity
FLT3-IN-33 (Compound 7r) is a potent FLT3 inhibitor with an IC50 of 7.82 nM. It exhibits excellent anticancer activity against acute myeloid leukemia (AML) cells, such as MV4-11 and MOLM-13 cells. FLT3-IN-33 significantly induces apoptosis and inhibits the phosphorylation of the FLT3 pathway, making it useful for research in AML and other cancers.
Smiles
N(C=1C(=CN=C(NCCC)N1)C=2NC=3C(N2)=CC=C(C3)N4CCN(C)CC4)[C@@H]5CC[C@@H](O)CC5
Molecular Formula
C25H36N8O
Molecular Weight
464.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Flt3-IN-33
CAS Number3035801-67-0
PubChem CID175562025
IUPAC Name4-[[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2-(propylamino)pyrimidin-4-yl]amino]cyclohexan-1-ol
Molecular FormulaC25H36N8O
Molecular Weight464.6
XLogP3.5
Topological Polar Surface Area105
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity624
SMILES
CCCNC1=NC=C(C(=N1)NC2CCC(CC2)O)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C
InChI
InChI=1S/C25H36N8O/c1-3-10-26-25-27-16-20(23(31-25)28-17-4-7-19(34)8-5-17)24-29-21-9-6-18(15-22(21)30-24)33-13-11-32(2)12-14-33/h6,9,15-17,19,34H,3-5,7-8,10-14H2,1-2H3,(H,29,30)(H2,26,27,28,31)
InChIKey
MIITVNWFBUGXSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flt3-IN-33
CAS: 3035801-67-0
CID: 175562025
Formula: C25H36N8O
MW: 464.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.6
XLogP33.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass464.30120780
Monoisotopic Mass464.30120780
Topological Polar Surface Area105 Ų
Heavy Atom Count34
Formal Charge0
Complexity624
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

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