N-Acetoxy-N-acetyl-4-chlorobenzenesulfonamide - CAS 142867-52-5
Catalog: |
BB009458 |
Product Name: |
N-Acetoxy-N-acetyl-4-chlorobenzenesulfonamide |
CAS: |
142867-52-5 |
Synonyms: |
[acetyl-(4-chlorophenyl)sulfonylamino] acetate |
Application: |
N-(Acetyloxy)-N-[(4-chlorophenyl)sulfonyl]acetamide is a nitroxyl (HNO) releasing agent. HNO is a potent vasorelaxant. |
IUPAC Name: | [acetyl-(4-chlorophenyl)sulfonylamino] acetate |
Description: | N-Acetyl-N-acetoxy-4-chlorobenzenesulfonamide is a prodrug of the potent nitroxyl (HNO), which is a potent vasorelaxant and is slowly released in neutral solution. It is used as a nitroxyl releasing agent. It is also a powerful inhibitor of aldehyde dehydrogenase. |
Molecular Weight: | 291.71 |
Molecular Formula: | C10H10ClNO5S |
Canonical SMILES: | CC(=O)N(OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)Cl |
InChI: | InChI=1S/C10H10ClNO5S/c1-7(13)12(17-8(2)14)18(15,16)10-5-3-9(11)4-6-10/h3-6H,1-2H3 |
InChI Key: | GWYBSWWLKXEDLB-UHFFFAOYSA-N |
Boiling Point: | 401.4 ℃ at 760 mmHg |
Density: | 1.454 g/cm3 |
MDL: | MFCD00467860 |
LogP: | 2.43610 |
Publication Number | Title | Priority Date |
KR-20210068762-A | Pharmaceutical composition for preventing and treating secondary cancer comprising aldehyde inhibitor and biguanide compounds | 20191202 |
WO-2021112541-A1 | Pharmaceutical composition for prevention and treatment of secondary cancer, comprising aldehyde inhibitor and biguanide-based compound | 20191202 |
WO-2020213938-A1 | Pharmaceutical composition for treating cancer comprising saponin as active ingredient | 20190415 |
WO-2020213939-A1 | Pharmaceutical composition for co-administration of anticancer drug | 20190415 |
KR-20200121250-A | A pharmaceutical composition for treating cancer containing saponin as active ingredient | 20190415 |
PMID | Publication Date | Title | Journal |
21111719 | 20110204 | Neuroprotective effects of KR-62980, a new PPARγ agonist, against chemical ischemia-reperfusion in SK-N-SH cells | Brain research |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.9968213 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.9968213 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 89.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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