Products for Research Use Only

R112

CAT: 0013-GTR19171362-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171362-01Size:1 mg
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Description
R112 is a potent and selective ATP-competitive inhibitor of spleen tyrosine kinase (Syk), exhibiting a Ki of 6 nM and an IC50 of 226 nM. This small molecule is a valuable research tool for studying Syk-dependent signaling pathways in immunology and oncology, applicable in both in vitro biochemical assays and cellular research models.
CAS Number
575474-82-7
Product Name Alternative
Tryptase, TNF-α, reversible, Spleen tyrosine kinase, Syk, R112, R-112, R 112, phosphorylation, LTC4, IL-8, inhibit, GM-CSF, Elafibranor, fast, Inhibitor, histamine, basophil, allergic rhinitis, (E) -Elafibranor
Field of Research
Cardiovascular Research, Signal Transduction
Purity
99.06% (May vary between batches)
Solubility
DMSO:55 mg/mL (176.11 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (6.4 mM)
Smiles
Oc1cccc (Nc2ncc (F) c (Nc3cccc (O) c3) n2) c1
Molecular Formula
C16H13FN4O2
Molecular Weight
312.3
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

R-112

R112 is an investigational compound developed to treat Allergic Rhinitis. It's mechanism of action is to inhibit SYK kinase.

CAS Number575474-82-7
PubChem CID9904854
IUPAC Name3-[[5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]phenol
Molecular FormulaC16H13FN4O2
Molecular Weight312.30
XLogP3.3
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity376
SMILES
C1=CC(=CC(=C1)O)NC2=NC(=NC=C2F)NC3=CC(=CC=C3)O
InChI
InChI=1S/C16H13FN4O2/c17-14-9-18-16(20-11-4-2-6-13(23)8-11)21-15(14)19-10-3-1-5-12(22)7-10/h1-9,22-23H,(H2,18,19,20,21)
InChIKey
TVKGTSHBQZEFEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of R-112
CAS: 575474-82-7
CID: 9904854
Formula: C16H13FN4O2
MW: 312.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight312.30
XLogP33.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass312.10225383
Monoisotopic Mass312.10225383
Topological Polar Surface Area90.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity376
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