The title compound, C(19)H(20)BrNO(2), consists of a carbazole skeleton with methyl groups at positions 1 and 4, a protecting group located at the N atom and a Br atom at position 6. The pyrrole ring is oriented at dihedral angles of 1.27 (7) and 4.86 (7)° with respect to the adjacent benzene rings. The dihedral angle between the benzene rings is 5.11 (7).… (More)
Molecular-dynamics simulations with metadynamics enhanced sampling reveal three distinct binding sites for arginine vasopressin (AVP) within its V2 -receptor (V2 R). Two of these, the vestibule and intermediate sites, block (antagonize) the receptor, and the third is the orthosteric activation (agonist) site. The contacts found for the orthosteric site… (More)
Apoptosis control defects such as the deregulation of Bcl-2 family member expression are frequently involved in chemoresistance. In ovarian carcinoma, we previously demonstrated that Bcl-xL and Mcl-1 cooperate to protect cancer cells against apoptosis and their concomitant inhibition leads to massive apoptosis even in the absence of chemotherapy. Whereas… (More)
The title compound, C(9)H(14)BNO(2)S, is in an unusual bend conformation and the B atom of one mol-ecule within the crystal forms an inter-molecular dative bond with the N atom of a neighbouring mol-ecule, an infrequent phenomenon in boronic derivative crystals.
The crystal structure of the ®rst reported non-substituted N-methyldioxazaborocane con®rms that the presence of a methyl group attached to the N atom introduces an N3B bond length that is longer than that in a simple dioxaza-borocane ring. The presence of more N atoms in the vicinity of the B atom in the title compound [systematic name: