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CHS-111

CAT: 0931-T27013-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T27013-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
886755-63-1
Target
Reactive Oxygen Species, Others
Related Pathways
Others, NF-κB, Immunology/Inflammation, Metabolism
Bioactivity
CHS-111 is a benzyl indazole compound that inhibits superoxide anion (O (2) (-) ) generation and reduces fMLP-stimulated PLD activity (IC (50) 3.9±1.2μM) . It inhibits the interaction of PLD1 with ADP-ribosylation factor (Arf) 6 and Ras homology (Rho) A, and reduces the membrane recruitment of RhoA in fMLP-stimulated cells.
Smiles
C(N1C(=C2C(=N1)C=CC=C2)C3=CC=C(CO)C=C3)C4=CC=CC=C4
Molecular Formula
C21H18N2O
Molecular Weight
314.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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