CAS Number59729-37-2
Synonyms1-Methyl-2-{[4-(methylsulfanyl)phenoxy]methyl}-5-nitro-1H-imidazole; 1-methyl-2-(4-methylthiophenyl-oxymethyl)-5-nitro-imidazole; 1-Methyl-2-((4-(methylthio)phenoxy)methyl)-5-nitro-1H-imidazole; 1-methyl-2-(4-methylsulfanyl-phenoxymethyl)-5-nitro-1H-imidazole; Fexinidazol; Fexinidazole; Fexinidazolum; 1-Methyl-2-((p-(methylthio)phenoxy)methyl)-5-nitroimidazole; HOE-239
Molecular FormulaC12H13N3O3S
Molecular Weight279.315
Purity98%
Density1.3±0.1 g/cm3
Boiling Point511.3±40.0 °C at 760 mmHg
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 59729-37-2 |
| Catalog No. | 2A-1166989 |
| Chinese Name | 非昔硝唑 |
| Synonyms | 1-Methyl-2-{[4-(methylsulfanyl)phenoxy]methyl}-5-nitro-1H-imidazole; 1-methyl-2-(4-methylthiophenyl-oxymethyl)-5-nitro-imidazole; 1-Methyl-2-((4-(methylthio)phenoxy)methyl)-5-nitro-1H-imidazole; 1-methyl-2-(4-methylsulfanyl-phenoxymethyl)-5-nitro-1H-imidazole; Fexinidazol; Fexinidazole; Fexinidazolum; 1-Methyl-2-((p-(methylthio)phenoxy)methyl)-5-nitroimidazole; HOE-239 |
| Molecular Formula | C12H13N3O3S |
| Molecular Weight | 279.315 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 511.3±40.0 °C at 760 mmHg |
| Storage Condition | 2-8℃ |
| Application | Fexinidazole is a 5-nitroimidazole drug that treats sleeping sickness in humans caused by infections caused by the parasite Trypanosoma brucei. |
| HTC | 2933290090 |
| PubChem ID | 8192348 |
| SMILES | CSc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1 |
| InChI | InChI=1S/C12H13N3O3S/c1-14-11(13-7-12(14)15(16)17)8-18-9-3-5-10(19-2)6-4-9/h3-7H,8H2,1-2H3 |
| InChI Key | MIWWSGDADVMLTG-UHFFFAOYSA-N |
| Use of | Properties Name 1-methyl-2-[(4-methylsulfanylphenoxy)methyl]-5-nitroimidazole Synonym More Synonyms Fexinidazole Biological Activity Related Catalog Signaling Pathways >> Anti-infection >> Parasite Research Areas >> Infection References [1]. Kaiser M, et al. Antitrypanosomal activity of fexinidazole, a new oral nitroimidazole drug candidate for treatment of sleeping sickness. Antimicrob Agents Chemother. 2011 Dec;55(12):5602-8. Chemical & Physical Properties Molecular Formula C12H13N3O3S Exact Mass 279.067749 PSA 98.17000 Index of Refraction 1.629 InChIKey MIWWSGDADVMLTG-UHFFFAOYSA-N Storage condition 2-8℃ Safety Information HS Code 2933290090 Synthetic Route Total: 1 Page 4-Hydroxythioanisole CAS#:1073-72-9 2-(chloromethyl... CAS#:6905-07-3 Fexinidazole CAS#:59729-37-2 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 3 p. 1015 - 1018 CAS#:936-05-0 Fexinidazole CAS#:59729-37-2 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 3 p. 1015 - 1018 CAS#:108-95-2 Fexinidazole CAS#:59729-37-2 Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 21, # 3 p. 1015 - 1018 Precursor & DownStream Precursor 4 CAS#:1073-72-9 4-Hydroxythioanisole CAS#:6905-07-3 2-(chloromethyl... CAS#:936-05-0 CAS#:108-95-2 DownStream 1 CAS#:62351-99-9 1-methyl-2-[(4-... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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