Synonym: (6S)- 6,7-Dihydro-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-5H-Imidazo[2,1-b][1,3]oxazine; (6S)-2-Nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine; (S)-PA 824; PA 824; Pretomanid
CAS Number: 187235-37-6
Empirical Formula (Hill Notation): C14H12F3N3O5
Molecular Weight: 359.26
Linear Formula: C14H12F3N3O5
Product Type: Chemical
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| assay |
≥98% (HPLC) |
| color |
white to brown |
| form |
powder |
| 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 |
| optical activity |
[α]/D -40 to -48°, c = 1 in methanol |
| Quality Level |
100  |
| SMILES string |
FC(F)(F)Oc1ccc(cc1)CO[C@H]2C[n]3c(nc(c3)[N+](=O)[O-])OC2 |
| solubility |
DMSO: 5 mg/mL, clear (warmed) |
| storage temp. |
−20°C |
| Biochem/physiol Actions: |
Anti-tuberculosis drug |
| Biochem/physiol Actions: |
PA-824 is a pro-drug that has an effect on both replicating and non-replicating Mycobacterium tuberculosis. It is activated by deazaflavin (cofactor F420)-dependent nitroreducase. |
| Biochem/physiol Actions: |
PA-824 is an anti-tuberculosis drug that exhibits multiple mechanism of action, including both cell wall inhibition and respiratory poisoning. |
| Biochem/physiol Actions: |
PA-824 is an anti-tuberculosis drug. |
| Packaging: |
10, 50 mg in glass bottle |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |