CAS Number187235-37-6
SynonymsPA-824; (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; PA824; UNII-2XOI31YC4N; (S)-6-(4-(trifluoromethoxy)benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; pretomanid
Molecular FormulaC14H12F3N3O5
Molecular Weight359.26
Density1.6±0.1 g/cm3
Boiling Point462.3±55.0 °C at 760 mmHg
Melting Point150 °C
AppearanceSolid;White to Almost white powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 187235-37-6 |
| Catalog No. | 2A-3185625 |
| Chinese Name | Pretomanid |
| Synonyms | PA-824; (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; PA824; UNII-2XOI31YC4N; (S)-6-(4-(trifluoromethoxy)benzyloxy)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; pretomanid |
| Molecular Formula | C14H12F3N3O5 |
| Molecular Weight | 359.26 |
| Density | 1.6±0.1 g/cm3 |
| Boiling Point | 462.3±55.0 °C at 760 mmHg |
| Melting Point | 150 °C |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | -20°C; avoid heating |
| Application | Pretomanid (PA-824) can act on pulmonary tuberculosis, with an MIC of <1 μg/mL. |
| HTC | 2934999090 |
| PubChem ID | 602759 |
| SMILES | O=[N+]([O-])c1cn2c(n1)OCC(OCc1ccc(OC(F)(F)F)cc1)C2 |
| InChI | InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1 |
| InChI Key | ZLHZLMOSPGACSZ-NSHDSACASA-N |
| NACRES Code | NA.77 |
| UNSPSC | 12352200 |
| Use of | Pretomanid (PA-824) is a small-molecule nitroimidazopyran drug candidate for the treatment of tuberculosis; the MIC values of PA-824 against a panel of MTB pan-sensitive and rifampin mono-resistant clinical isolates ranged from 0.015 to 0.25 ug/ml.IC50 value: 0.015 to 0.25 ug/ml (MICs) [1] Properties Name (6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine Synonym More Synonyms PA-824 Biological Activity Description Pretomanid (PA-824) is a small-molecule nitroimidazopyran drug candidate for the treatment of tuberculosis; the MIC values of PA-824 against a panel of MTB pan-sensitive and rifampin mono-resistant clinical isolates ranged from 0.015 to 0.25 ug/ml.IC50 value: 0.015 to 0.25 ug/ml (MICs) [1] Related Catalog Signaling Pathways >> Anti-infection >> Bacterial Research Areas >> Infection Tuberculosis. References [1]. Stover CK, et al. A small-molecule nitroimidazopyran drug candidate for the treatment of tuberculosis. Nature. 2000 Jun 22;405(6789):962-6. [2]. Lenaerts AJ, et al. Preclinical testing of the nitroimidazopyran PA-824 for activity against Mycobacterium tuberculosis in a series of in vitro and in vivo models. Antimicrob Agents Chemother. 2005 Jun;49(6):2294-301. [3]. Manjunatha UH, et al. Mycobacterium leprae is naturally resistant to PA-824. Antimicrob Agents Chemother. 2006 Oct;50(10):3350-4. Chemical & Physical Properties Molecular Formula C14H12F3N3O5 Exact Mass 359.072906 PSA 91.33000 Index of Refraction 1.589 InChIKey ZLHZLMOSPGACSZ-NSHDSACASA-N Safety Information Signal Word Warning Hazard Statements H315-H319-H335 Precautionary Statements P280-P304 + P340 + P312-P305 + P351 + P338-P337 + P313 Hazard Codes Xi RIDADR NONH for all modes of transport HS Code 2934999090 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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