Products 80279-24-9

CAS 80279-24-9 appears in our catalog under these names: Tilivalline, >95% (HPLC), Tilivalline. Offered by: TRC, Biosynth, MedChemExpress. Available pack sizes: 10mg, 1mg, 2mg, 5mg, 1 mg, 10 mg.

Structural formula: {0} (CAS {1})

Tilivalline is a pyrrolobenzodiazepine that is (11aS)-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine substituted by an oxo group at position 5, by a hydroxy group at position 9, and by a 1H-indol-3-yl group at position 11S. It is a natural product discovered in Klebsiella oxytoca which is the causative toxin in antibiotic associated hemorrhagic colitis. It exhibits a microtubule-stabilizing activity that leads to mitotic arrest in the host cells. It has a role as a toxin, a microtubule-stabilising agent and a bacterial metabolite. It is a pyrrolobenzodiazepine, a member of indoles, a member of phenols and an indole alkaloid.

Source: ChEBI

Identity
Molecular formulaC20H19N3O2
Molecular weight333.4 g/mol
IUPAC name(6S,6aS)-4-hydroxy-6-(1H-indol-3-yl)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
InChIKeyAJZNARCWDDMOPL-WMZOPIPTSA-N
SMILESC1C[C@H]2[C@@H](NC3=C(C=CC=C3O)C(=O)N2C1)C4=CNC5=CC=CC=C54

Computed by PubChem (NCBI)