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HCAIX/XII-IN-2

CAT: 0013-GTR19188101-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188101-01Size:25 mg
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Description
HCAIX/XII-IN-2 (compound 6a) is a potent and selective inhibitor of hCAIX and hCAXII, with Ki values of 30.0 nM and 3.6 nM, respectively, and >10,000 nM for hCAI and hCAII. It is used in cancer research for in vitro enzyme assays and in vivo tumor model studies.
CAS Number
2414629-82-4
Field of Research
Metabolism Research
Smiles
CC=1C=2C (=CC (OCC=3N=C (ON3) C4=CC=CC=C4) =CC2) OC (=O) C1
Molecular Formula
C19H14N2O4
Molecular Weight
334.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

hCAIX/XII-IN-2
CAS Number2414629-82-4
PubChem CID164886608
IUPAC Name4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
Molecular FormulaC19H14N2O4
Molecular Weight334.3
XLogP3.2
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity518
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NOC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C19H14N2O4/c1-12-9-18(22)24-16-10-14(7-8-15(12)16)23-11-17-20-19(25-21-17)13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
IIRFKVBIPSSOHC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hCAIX/XII-IN-2
CAS: 2414629-82-4
CID: 164886608
Formula: C19H14N2O4
MW: 334.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.3
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass334.09535693
Monoisotopic Mass334.09535693
Topological Polar Surface Area74.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity518
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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