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Fedratinib

CAT: 0931-T1995-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T1995-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
936091-26-8
Target
JAK, FLT, Apoptosis, c-RET
Related Pathways
JAK/STAT signaling, Tyrosine Kinase/Adaptors, Stem Cells, Angiogenesis, Chromatin/Epigenetic, Apoptosis
Purity
0.9996
Bioactivity
Fedratinib (TG-101348) (TG101348) is an ATP-competitive inhibitor of JAK2 (IC50: 3 nM) with significantly less potent activity against JAK3.
Smiles
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Molecular Formula
C27H36N6O3S
Molecular Weight
524.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fedratinib

N-tert-butyl-3-[[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]benzenesulfonamide is a sulfonamide.

CAS Number936091-26-8
PubChem CID16722836
IUPAC NameN-tert-butyl-3-[[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]benzenesulfonamide
Molecular FormulaC27H36N6O3S
Molecular Weight524.7
XLogP4.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity787
SMILES
CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4
InChI
InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
InChIKey
JOOXLOJCABQBSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fedratinib
CAS: 936091-26-8
CID: 16722836
Formula: C27H36N6O3S
MW: 524.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight524.7
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass524.25696021
Monoisotopic Mass524.25696021
Topological Polar Surface Area117 Ų
Heavy Atom Count37
Formal Charge0
Complexity787
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

Alternative Products

CatalogName
FD151499-01Fedratinib
CS-O-44789Fedratinib-d8
C08814-5mgFedratinib (TG101348)
HY-10409R-01Fedratinib (Standard)
CS-O-44790Fedratinib-d4
HY-10409SFedratinib-d9
A9916-100Fedratinib hydrochloride hydrate
AR-F09859-01Fedratinib Impurity 3
AR-F09858-01Fedratinib Impurity 2

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