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Bayer-18

CAT: 0013-GTR19238734-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238734-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Bayer-18 is a TYK2 inhibitor that reduces viability (IC50 ~2-3 μM) and induces apoptosis in anaplastic large cell lymphoma cell lines. This small molecule is a research tool for studying oncogenic JAK-STAT signaling pathways in vitro, applicable in cancer and immunology research.
CAS Number
1251752-12-1
Field of Research
Cardiovascular Research, Cell Biology, Epigenetics & Chromatin, Signal Transduction, Stem Cell & Developmental Biology
Smiles
O=C (NC1=CC=CC (=C1) NC2=NC=C (F) C (=N2) NC (C) (C) CO) NC (C) (C) C
Molecular Formula
C19H27FN6O2
Molecular Weight
390.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(Tert-butyl)-3-(3-((5-fluoro-4-((1-hydroxy-2-methylpropan-2-yl)amino)pyrimidin-2-yl)amino)phenyl)urea
CAS Number1251752-12-1
PubChem CID73265273
IUPAC Name1-tert-butyl-3-[3-[[5-fluoro-4-[(1-hydroxy-2-methylpropan-2-yl)amino]pyrimidin-2-yl]amino]phenyl]urea
Molecular FormulaC19H27FN6O2
Molecular Weight390.5
XLogP2.4
Topological Polar Surface Area111
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity513
SMILES
CC(C)(C)NC(=O)NC1=CC=CC(=C1)NC2=NC=C(C(=N2)NC(C)(C)CO)F
InChI
InChI=1S/C19H27FN6O2/c1-18(2,3)26-17(28)23-13-8-6-7-12(9-13)22-16-21-10-14(20)15(24-16)25-19(4,5)11-27/h6-10,27H,11H2,1-5H3,(H2,23,26,28)(H2,21,22,24,25)
InChIKey
DYNMZYFOSRSMAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Tert-butyl)-3-(3-((5-fluoro-4-((1-hydroxy-2-methylpropan-2-yl)amino)pyrimidin-2-yl)amino)phenyl)urea
CAS: 1251752-12-1
CID: 73265273
Formula: C19H27FN6O2
MW: 390.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.5
XLogP32.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass390.21795229
Monoisotopic Mass390.21795229
Topological Polar Surface Area111 Ų
Heavy Atom Count28
Formal Charge0
Complexity513
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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