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ROS kinases-IN-2

CAT: 0013-GTR19221039-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19221039-01Size:1 mg
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Description
ROS kinases-IN-2 is a potent small molecule inhibitor of ROS kinases, demonstrating 21.53% inhibition at 10 μM. It is a useful research tool for studying oncogenic ROS signaling in cancer cell proliferation, applicable in both in vitro and in vivo models of abnormal cell growth.
CAS Number
687576-28-9
Product Name Alternative
ROS Kinase, ROSKinase
Field of Research
Signal Transduction
Purity
99.49% (May vary between batches)
Solubility
DMSO:55 mg/mL (125.7 mM)
Smiles
O=C (NCCC1=CC=C (C=C1) S (=O) (=O) N) C=2C=C (N=C3C=CC=CC32) C=4SC=CC4
Molecular Formula
C22H19N3O3S2
Molecular Weight
437.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ROS kinases-IN-2
CAS Number687576-28-9
PubChem CID1261733
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]-2-thiophen-2-ylquinoline-4-carboxamide
Molecular FormulaC22H19N3O3S2
Molecular Weight437.5
XLogP3.4
Topological Polar Surface Area139
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity688
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N
InChI
InChI=1S/C22H19N3O3S2/c23-30(27,28)16-9-7-15(8-10-16)11-12-24-22(26)18-14-20(21-6-3-13-29-21)25-19-5-2-1-4-17(18)19/h1-10,13-14H,11-12H2,(H,24,26)(H2,23,27,28)
InChIKey
QGHYISYCZNANMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ROS kinases-IN-2
CAS: 687576-28-9
CID: 1261733
Formula: C22H19N3O3S2
MW: 437.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight437.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass437.08678382
Monoisotopic Mass437.08678382
Topological Polar Surface Area139 Ų
Heavy Atom Count30
Formal Charge0
Complexity688
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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