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HCAXII-IN-5

CAT: 0013-GTR19186756-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186756-01Size:25 mg
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Description
HCAXII-IN-5 (6o) is a potent and selective inhibitor of human carbonic anhydrase XII (hCAXII), demonstrating high specificity with Ki values of 1.0 nM for hCAXII versus >10,000 nM for hCAI/II. This selectivity profile makes it a valuable chemical probe for studying the role of hCAXII in cancer biology and hypoxic tumors, both in vitro and in vivo.
CAS Number
2414629-92-6
Field of Research
Metabolism Research
Smiles
CC=1C=2C (=CC (OCC=3N=C (ON3) C4=CC=C (C (C) (C) C) C=C4) =CC2) OC (=O) C1
Molecular Formula
C23H22N2O4
Molecular Weight
390.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

hCAXII-IN-5
CAS Number2414629-92-6
PubChem CID164886607
IUPAC Name7-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]-4-methylchromen-2-one
Molecular FormulaC23H22N2O4
Molecular Weight390.4
XLogP4.9
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity621
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NOC(=N3)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C23H22N2O4/c1-14-11-21(26)28-19-12-17(9-10-18(14)19)27-13-20-24-22(29-25-20)15-5-7-16(8-6-15)23(2,3)4/h5-12H,13H2,1-4H3
InChIKey
DFGYRSAGPYIEPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hCAXII-IN-5
CAS: 2414629-92-6
CID: 164886607
Formula: C23H22N2O4
MW: 390.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.4
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass390.15795719
Monoisotopic Mass390.15795719
Topological Polar Surface Area74.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity621
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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sc-2627255,5,5-Trifluorovaleronitrile

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