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CAXII-IN-1

CAT: 0804-HY-143460Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-143460Size:1 Each
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Description
CAXII-IN-1 (Compound 17) is a selective CA XII inhibitor with Ki values of 3.8 nM and 56.0 nM against hCA XII and hCA IX, respectively. CAXII-IN-1 shows antitumor activity[1].
CAS Number
2479918-59-5
UNSPSC
12352005
Target
Carbonic Anhydrase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/caxii-in-1.html
Solubility
10 mM in DMSO
Smiles
ClC1=CC(Cl)=CC(C2=CN=C(OS(C=C3)(=O)=O)C3=C2)=C1
Molecular Formula
C13H7Cl2NO3S
Molecular Weight
328.17
References & Citations
[1]Grandāne A, et al. Development of oxathiino[6,5-b]pyridine 2,2-dioxide derivatives as selective inhibitors of tumor-related carbonic anhydrases IX and XII. Eur J Med Chem. 2020 Aug 15;200:112300.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CA XII

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
T60930-01CAXII-IN-1
GTR19264350-01CAII/CAXII-IN-1
T207532-01CAXII-IN-2
GTR19272927-01CAXII-IN-3
T205667-01CAIX/CAXII-IN-4
T210252-01CAIX/CAXII-IN-2
T200520-01CAIX/CAXII-IN-3
P1704-20Active Recombinant Human CAXII Protein
588271CA12 (CAXII, FLJ20151, HsT18816, carbonic dehydratase)
244119CA12 (Carbonic Anhydrase XII, CAXII, FLJ20151, HsT18816)

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