Name: Name:Tba-354
Brand: AABLOCKS
SKU: AA000OIJ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA000OIJ

Chemical Name: Tba-354

CAS Number: 1257426-19-9

Molecular Formula: C19H15F3N4O5

Molecular Weight: 436.3414

MDL Number: MFCD28009369

SMILES: [O-][N+](=O)c1cn2c(n1)OC[C@H](C2)OCc1ccc(nc1)c1ccc(cc1)OC(F)(F)F

Properties

Complexity: 614

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 31

Hydrogen Bond Acceptor Count: 10

Hydrogen Bond Donor Count: 0

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.4

Literature fold

Title: Structure-activity relationships for amide-, carbamate-, and urea-linked analogues of the tuberculosis drug (6S)-2-nitro-6-{[4-(trifluoromethoxy)benzyl]oxy}-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PA-824).

Journal: Journal of medicinal chemistry20120112

Title: Upton AM, et al. In Vitro and In Vivo Activities of the Nitroimidazole TBA-354 against Mycobacterium tuberculosis. Antimicrob Agents Chemother. 2015 Jan;59(1):136-44.

Title: Tasneen R, et al. Contribution of the Nitroimidazoles PA-824 and TBA-354 to the Activity of Novel Regimens in Murine Models of Tuberculosis. Antimicrob Agents Chemother. 2015 Jan;59(1):129-35.

1257426-19-9 | Tba-354