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CHS-111

CAT: 0804-HY-116730Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-116730Size:1 Each
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Description
CHS-111 is a benzyl indazole inhibitor of superoxide anion O2- generation. CHS-111 inhibits the cell migration, and reduces the formyl-Met-Leu-Phe- but not phorbol ester-stimulated phospholipase D activity, with the IC50 of 3.9 μM[1].
CAS Number
886755-63-1
UNSPSC
12352005
Target
Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/chs-111.html
Solubility
10 mM in DMSO
Smiles
OCC1=CC=C(C=C1)C2=C3C=CC=CC3=NN2CC4=CC=CC=C4
Molecular Formula
C21H18N2O
Molecular Weight
314.38
References & Citations
[1]Chang LC, et al. Signaling mechanisms of inhibition of phospholipase D activation by CHS-111 in formyl peptide-stimulated neutrophils. Biochem Pharmacol. 2011;81 (2) :269-278.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Benzyl-3-(4-hydroxymethylphenyl)indazole

structure in first source

CAS Number886755-63-1
PubChem CID23120781
IUPAC Name[4-(2-benzylindazol-3-yl)phenyl]methanol
Molecular FormulaC21H18N2O
Molecular Weight314.4
XLogP3.9
Topological Polar Surface Area38.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity387
SMILES
C1=CC=C(C=C1)CN2C(=C3C=CC=CC3=N2)C4=CC=C(C=C4)CO
InChI
InChI=1S/C21H18N2O/c24-15-17-10-12-18(13-11-17)21-19-8-4-5-9-20(19)22-23(21)14-16-6-2-1-3-7-16/h1-13,24H,14-15H2
InChIKey
GUQSBGZNHKRJGO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzyl-3-(4-hydroxymethylphenyl)indazole
CAS: 886755-63-1
CID: 23120781
Formula: C21H18N2O
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass314.141913202
Monoisotopic Mass314.141913202
Topological Polar Surface Area38.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity387
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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