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CAXII-IN-1

CAT: 0931-T60930-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T60930-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2479918-59-5
Target
Carbonic Anhydrase, Others
Related Pathways
Others, Metabolism
Bioactivity
CAXII-IN-1 (Compound 17) is a selective inhibitor of CA XII with antitumor activity, exhibiting Ki values of 3.8 nM for hCA XII and 56.0 nM for hCA IX [1].
Smiles
O=S1(=O)OC=2C(=CC(=CN2)C3=CC(Cl)=CC(Cl)=C3)C=C1
Molecular Formula
C13H7Cl2NO3S
Molecular Weight
328.17
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Caxii-IN-1
CAS Number2479918-59-5
PubChem CID162666957
IUPAC Name6-(3,5-dichlorophenyl)oxathiino[6,5-b]pyridine 2,2-dioxide
Molecular FormulaC13H7Cl2NO3S
Molecular Weight328.2
XLogP3.7
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity480
SMILES
C1=CS(=O)(=O)OC2=C1C=C(C=N2)C3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C13H7Cl2NO3S/c14-11-4-9(5-12(15)6-11)10-3-8-1-2-20(17,18)19-13(8)16-7-10/h1-7H
InChIKey
YCLQLENVPQZHPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Caxii-IN-1
CAS: 2479918-59-5
CID: 162666957
Formula: C13H7Cl2NO3S
MW: 328.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.2
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass326.9523696
Monoisotopic Mass326.9523696
Topological Polar Surface Area64.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity480
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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Alternative Products

CatalogName
HY-143460CAXII-IN-1
GTR19264350-01CAII/CAXII-IN-1
HY-146819CAIX/CAXII-IN-1
HY-172950CAXII-IN-2
HY-178030CAXII-IN-3
HY-169195CAIX/CAXII-IN-3
HY-159132CAIX/CAXII-IN-2
HY-170893CAIX/CAXII-IN-4
P1704-20Active Recombinant Human CAXII Protein
588271CA12 (CAXII, FLJ20151, HsT18816, carbonic dehydratase)

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