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Flonoltinib

CAT: 0931-T11707-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T11707-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2387765-27-5
Target
JAK, Apoptosis, FLT
Related Pathways
Apoptosis, Tyrosine Kinase/Adaptors, Angiogenesis, Stem Cells, JAK/STAT signaling, Chromatin/Epigenetic
Purity
0.9952
Bioactivity
Flonoltinib (JAK2/FLT3-IN-1) is an orally active and potent JAK2/FLT3 inhibitor, inhibiting JAK2, FLT3, JAK1, and JAK3. Flonoltinib has anti-cancer activity and can be used for studying myeloproliferative neoplasms.
Smiles
FC1=CC(=CC=C1N2CCC(N(C)CCO)CC2)NC=3N=CC(=C(N3)C=4C=NN(C4)C(C)C)C
Molecular Formula
C25H34FN7O
Molecular Weight
467.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

compound 18e (PMID: 31670517)
CAS Number2387765-27-5
PubChem CID139600335
IUPAC Name2-[[1-[2-fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methylamino]ethanol
Molecular FormulaC25H34FN7O
Molecular Weight467.6
XLogP3.2
Topological Polar Surface Area82.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity620
SMILES
CC1=CN=C(N=C1C2=CN(N=C2)C(C)C)NC3=CC(=C(C=C3)N4CCC(CC4)N(C)CCO)F
InChI
InChI=1S/C25H34FN7O/c1-17(2)33-16-19(15-28-33)24-18(3)14-27-25(30-24)29-20-5-6-23(22(26)13-20)32-9-7-21(8-10-32)31(4)11-12-34/h5-6,13-17,21,34H,7-12H2,1-4H3,(H,27,29,30)
InChIKey
CVLXNRIQVFIVGY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of compound 18e (PMID: 31670517)
CAS: 2387765-27-5
CID: 139600335
Formula: C25H34FN7O
MW: 467.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight467.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass467.28088690
Monoisotopic Mass467.28088690
Topological Polar Surface Area82.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity620
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