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HCAII-IN-8

CAT: 0804-HY-152140-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-152140-01Size:5 mg
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Description
HCAII-IN-8, an amide, is a highly selective carbonic anhydrase (CA) inhibitor with an IC50 value of 0.18 μM against hCA II[1].
CAS Number
952306-80-8
UNSPSC
12352005
Hazard Statement
H319
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/hcaii-in-8.html
Purity
99.41
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
COC1=CC=C(C=C1OC)C(NC2=CC(S(N)(=O)=O)=CC=C2)=O
Molecular Formula
C15H16N2O5S
Molecular Weight
336.36
Precautions
P264-P280-P305+P351+P338
References & Citations
[1]Zahid Hussain, et al. Synthesis and Evaluation of Amide and Thiourea Derivatives as Carbonic Anhydrase (CA) Inhibitors. ACS Omega. 2022 Dec 6;7 (50) :47251-47264.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
CA II

Chemical Information

hCAII-IN-8
CAS Number952306-80-8
PubChem CID24855629
IUPAC Name3,4-dimethoxy-N-(3-sulfamoylphenyl)benzamide
Molecular FormulaC15H16N2O5S
Molecular Weight336.4
XLogP1.3
Topological Polar Surface Area116
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity504
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N)OC
InChI
InChI=1S/C15H16N2O5S/c1-21-13-7-6-10(8-14(13)22-2)15(18)17-11-4-3-5-12(9-11)23(16,19)20/h3-9H,1-2H3,(H,17,18)(H2,16,19,20)
InChIKey
NXXHQVMWOQRKGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of hCAII-IN-8
CAS: 952306-80-8
CID: 24855629
Formula: C15H16N2O5S
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass336.07799279
Monoisotopic Mass336.07799279
Topological Polar Surface Area116 Ų
Heavy Atom Count23
Formal Charge0
Complexity504
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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