6-Ethoxy-2-benzothiazolesulfonamide - CAS 452-35-7
Catalog: |
BB025797 |
Product Name: |
6-Ethoxy-2-benzothiazolesulfonamide |
CAS: |
452-35-7 |
Synonyms: |
6-ethoxy-1,3-benzothiazole-2-sulfonamide |
Application: |
Acting as a carbonic anhydrase inhibitor. |
IUPAC Name: | 6-ethoxy-1,3-benzothiazole-2-sulfonamide |
Description: | Ethoxzolamide is used in the treatment of glaucoma, and is also used as a diuretic, acting as a carbonic anhydrase inhibitor. |
Molecular Weight: | 258.32 |
Molecular Formula: | C9H10N2O3S2 |
Canonical SMILES: | CCOC1=CC2=C(C=C1)N=C(S2)S(=O)(=O)N |
InChI: | InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13) |
InChI Key: | OUZWUKMCLIBBOG-UHFFFAOYSA-N |
Boiling Point: | 464.9 °C at 760 mmHg |
Melting Point: | 188-190.5 °C |
Purity: | ≥ 98 % |
Density: | 1.47 g/cm3 |
Solubility: | Soluble in DMSO |
Appearance: | White to yellow powder |
Storage: | Store at -20 °C |
MDL: | MFCD00057089 |
LogP: | 3.12350 |
Quality Standard: | Enterprise standard |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112382411-A | Drug-protein targeting effect prediction method based on heterogeneous graph | 20201113 |
US-2021315944-A1 | Modulation of microbiota function by gene therapy of the microbiome to prevent, treat or cure microbiome-associated diseases or disorders | 20200408 |
WO-2021204967-A1 | Modulation of microbiota function by gene therapy of the microbiome to prevent, treat or cure microbiome-associated diseases or disorders | 20200408 |
US-10980756-B1 | Methods of treatment | 20200316 |
WO-2021188564-A1 | Methods of treating covid-19 with a niclosamide compound | 20200316 |
PMID | Publication Date | Title | Journal |
23965175 | 20131001 | Carbonic anhydrase inhibitors: synthesis and inhibition of the human carbonic anhydrase isoforms I, II, VII, IX and XII with benzene sulfonamides incorporating 4,5,6,7-tetrabromophthalimide moiety | Bioorganic & medicinal chemistry |
22491977 | 20120907 | Single and mixed poloxamine micelles as nanocarriers for solubilization and sustained release of ethoxzolamide for topical glaucoma therapy | Journal of the Royal Society, Interface |
22586591 | 20120801 | Methazolamide is a new hepatic insulin sensitizer that lowers blood glucose in vivo | Diabetes |
22538240 | 20120701 | Binding of carbonic anhydrase IX to extracellular loop 4 of the NBCe1 Na+/HCO3- cotransporter enhances NBCe1-mediated HCO3- influx in the rat heart | American journal of physiology. Cell physiology |
22424239 | 20120412 | Molecular cloning, characterization, and inhibition studies of a β-carbonic anhydrase from Malassezia globosa, a potential antidandruff target | Journal of medicinal chemistry |
Complexity: | 341 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.01328453 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.01328453 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 119 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Related Functional Groups
Oxazole/Thiazole
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