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BAY 61-3606 HCl

CAT: 0013-GTR19209603-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209603-01Size:1 mg
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Description
BAY 61-3606 HCl is a potent and reversible spleen tyrosine kinase (Syk) inhibitor. It suppresses mast cell degranulation and cytokine release, and oral administration in rats inhibits allergic responses. Furthermore, it sensitizes cancer cells to TRAIL-induced apoptosis and has been studied in pre-clinical models for diseases like retinoblastoma.
CAS Number
1615197-10-8
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Smiles
Cl.COc1ccc (cc1OC) -c1cc2nccn2c (Nc2ncccc2C (N) =O) n1
Molecular Formula
C20H19ClN6O3
Molecular Weight
426.86
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BAY 61-3606 (hydrochloride)
CAS Number1615197-10-8
PubChem CID52949496
IUPAC Name2-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]pyridine-3-carboxamide;hydrochloride
Molecular FormulaC20H19ClN6O3
Molecular Weight426.9
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity566
SMILES
COC1=C(C=C(C=C1)C2=CC3=NC=CN3C(=N2)NC4=C(C=CC=N4)C(=O)N)OC.Cl
InChI
InChI=1S/C20H18N6O3.ClH/c1-28-15-6-5-12(10-16(15)29-2)14-11-17-22-8-9-26(17)20(24-14)25-19-13(18(21)27)4-3-7-23-19;/h3-11H,1-2H3,(H2,21,27)(H,23,24,25);1H
InChIKey
HLYFDKZWVIBYKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BAY 61-3606 (hydrochloride)
CAS: 1615197-10-8
CID: 52949496
Formula: C20H19ClN6O3
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass426.1207162
Monoisotopic Mass426.1207162
Topological Polar Surface Area117 Ų
Heavy Atom Count30
Formal Charge0
Complexity566
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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A3227-5BAY 61-3606
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A3228-25BAY 61-3606 dihydrochloride
442151-01BAY 61-3606 Hydrochloride
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A11320-25BAY 61-3606 25mg
A11320-1BAY 61-3606 1mg

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