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1226895-20-0 | 2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 4-(aminothioxomethyl)phenyl ester
CAS No: 1226895-20-0 Catalog No: AG000J01 MDL No:
Product Description
Catalog Number:
AG000J01
Chemical Name:
2-Naphthaleneacetic acid, 6-methoxy-α-methyl-, 4-(aminothioxomethyl)phenyl ester
CAS Number:
1226895-20-0
Molecular Formula:
C21H19NO3S
Molecular Weight:
365.4455
IUPAC Name:
(4-carbamothioylphenyl) 2-(6-methoxynaphthalen-2-yl)propanoate
InChI:
InChI=1S/C21H19NO3S/c1-13(21(23)25-18-8-5-14(6-9-18)20(22)26)15-3-4-17-12-19(24-2)10-7-16(17)11-15/h3-13H,1-2H3,(H2,22,26)
InChI Key:
YCNMAPLPQYQJFC-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)C(C(=O)Oc1ccc(cc1)C(=S)N)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.447g/mol
Monoisotopic Mass:
365.109g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Hydrogen Sulfide-Releasing Therapeutics: Translation to the Clinic. | Antioxidants & redox signaling 20180601 |
| International Union of Basic and Clinical Pharmacology. CII: Pharmacological Modulation of H(2)S Levels: H(2)S Donors and H(2)S Biosynthesis Inhibitors. | Pharmacological reviews 20171001 |
| ATB-346, a novel hydrogen sulfide-releasing anti-inflammatory drug, induces apoptosis of human melanoma cells and inhibits melanoma development in vivo. | Pharmacological research 20161201 |
| Esterase-Sensitive Prodrugs with Tunable Release Rates and Direct Generation of Hydrogen Sulfide. | Angewandte Chemie (International ed. in English) 20160324 |
| Hydrogen sulfide prodrugs-a review. | Acta pharmaceutica Sinica. B 20150901 |
| H2S-releasing drugs: anti-inflammatory, cytoprotective and chemopreventative potential. | Nitric oxide : biology and chemistry 20150430 |
| Hydrogen sulfide releasing naproxen offers better anti-inflammatory and chondroprotective effect relative to naproxen in a rat model of zymosan induced arthritis. | European review for medical and pharmacological sciences 20150401 |
| Effects of conventional and hydrogen sulfide-releasing non-steroidal anti-inflammatory drugs in rats with stress-induced and epinephrine-induced gastric damage. | Stress (Amsterdam, Netherlands) 20141201 |
| Enhanced chemopreventive effects of a hydrogen sulfide-releasing anti-inflammatory drug (ATB-346) in experimental colorectal cancer. | Nitric oxide : biology and chemistry 20140915 |
| Gastrointestinal-sparing effects of novel NSAIDs in rats with compromised mucosal defence. | PloS one 20120101 |
| Markedly reduced toxicity of a hydrogen sulphide-releasing derivative of naproxen (ATB-346). | British journal of pharmacology 20100301 |
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