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HCAXII-IN-1

CAT: 0013-GTR19187342-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187342-01Size:25 mg
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Description
HCAXII-IN-1 is a selective inhibitor of the tumor-associated carbonic anhydrase isoforms CA IX and CA XII. This compound serves as a valuable research tool for investigating hypoxia-driven tumor biology and has demonstrated utility in both in vitro enzymatic assays and cellular models of cancer.
CAS Number
2451479-66-4
Field of Research
Metabolism Research
Smiles
N (C (/C=C/C1=CC (OC) =C (OC) C=C1) =O) C=2C=C3C (=CC2) OC (=O) C=C3
Molecular Formula
C20H17NO5
Molecular Weight
351.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

hCAXII-IN-1
CAS Number2451479-66-4
PubChem CID162644177
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(2-oxochromen-6-yl)prop-2-enamide
Molecular FormulaC20H17NO5
Molecular Weight351.4
XLogP3.1
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity573
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC3=C(C=C2)OC(=O)C=C3)OC
InChI
InChI=1S/C20H17NO5/c1-24-17-7-3-13(11-18(17)25-2)4-9-19(22)21-15-6-8-16-14(12-15)5-10-20(23)26-16/h3-12H,1-2H3,(H,21,22)/b9-4+
InChIKey
VTURXSGSWBEJIN-RUDMXATFSA-N
Chemical Structure
2D Structure
2D structure of hCAXII-IN-1
CAS: 2451479-66-4
CID: 162644177
Formula: C20H17NO5
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass351.11067264
Monoisotopic Mass351.11067264
Topological Polar Surface Area73.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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