Benzomalvin C

Benzomalvin C is a weak antagonist of the neurokinin-1 (NK1) receptor inhibiting binding of substance P by 46% when used at 100 µg/ml in vitro. It is also a weak inhibitor of indolamine 2,3-dioxygenase (IDO) with an IC50 value of 130 µM for recombinant IDO. It was isolated from Penicillium and contains an epoxide group at C-19 and C-20, which is not present in benzomalvins A, B, or E.Formal Name: (2R,3S)-rel-(+)-6'-methyl-3-phenyl-spiro[oxirane-2,7'(13'H)-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'(6'H)-dione. CAS Number: 157047-98-8. Molecular Formula: C24H17N3O3. Formula Weight: 395.4. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMF: soluble, DMSO: soluble, Ethanol: soluble, Methanol: soluble. SMILES: O=C1C2=C(C=CC=C2)N=C3N1C(C=CC=C4)=C4C(N(C)[C@]35O[C@@H]5C6=CC=CC=C6)=O. InChi Code: InChI=1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24-/m1/s1. InChi Key: TWDKBDSVUUKABK-HYBUGGRVSA-N.