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TOP1210

CAT: 0013-GTR19196300-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196300-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TOP1210 is a narrow-spectrum kinase inhibitor with potent activity against p38α, Src, and Syk kinases. It is a valuable research tool for studying inflammatory and oncogenic signaling pathways in both cellular and animal models of disease.
CAS Number
1628439-59-7
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
N (C (NC=1C2=C (C (OC3=NC (NC4=CC (C (NCCOCCOCCOC) =O) =CC (C#C) =C4) =NC=C3) =CC1) C=CC=C2) =O) C=5N (N=C (C (C) (C) C) C5) C6=CC=C (C) C=C6
Molecular Formula
C45H48N8O6
Molecular Weight
796.91
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

US10301288, Example 6
CAS Number1628439-59-7
PubChem CID86304332
IUPAC Name3-[[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-5-ethynyl-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]benzamide
Molecular FormulaC45H48N8O6
Molecular Weight796.9
XLogP7.2
Topological Polar Surface Area163
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Heavy Atom Count59
Formal Charge0
Complexity1350
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OC5=NC(=NC=C5)NC6=CC(=CC(=C6)C(=O)NCCOCCOCCOC)C#C
InChI
InChI=1S/C45H48N8O6/c1-7-31-26-32(42(54)46-20-21-57-24-25-58-23-22-56-6)28-33(27-31)48-43-47-19-18-41(51-43)59-38-17-16-37(35-10-8-9-11-36(35)38)49-44(55)50-40-29-39(45(3,4)5)52-53(40)34-14-12-30(2)13-15-34/h1,8-19,26-29H,20-25H2,2-6H3,(H,46,54)(H,47,48,51)(H2,49,50,55)
InChIKey
MMBUUNLZGRAVKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US10301288, Example 6
CAS: 1628439-59-7
CID: 86304332
Formula: C45H48N8O6
MW: 796.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight796.9
XLogP37.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count19
Exact Mass796.36968128
Monoisotopic Mass796.36968128
Topological Polar Surface Area163 Ų
Heavy Atom Count59
Formal Charge0
Complexity1350
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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