Synonym
Benzomalvin-A; BenzomalvinA; Benzomalvin A
IUPAC/Chemical Name
(S)-7-Benzyl-6-methyl-6,7-dihydrobenzo[6,7][1,4]diazepino[2,1-b]quinazoline-5,13-dione
InChi Key
YYWUABJYAOCACI-NRFANRHFSA-N
InChi Code
InChI=1S/C24H19N3O2/c1-26-21(15-16-9-3-2-4-10-16)22-25-19-13-7-5-11-17(19)24(29)27(22)20-14-8-6-12-18(20)23(26)28/h2-14,21H,15H2,1H3/t21-/m0/s1
SMILES Code
O=C1N(C)[C@@H](CC2=CC=CC=C2)C(N3C4=CC=CC=C14)=NC5=C(C=CC=C5)C3=O
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
381.44
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Sun HH, Barrow CJ, Sedlock DM, Gillum AM, Cooper R. Benzomalvins, new substance P inhibitors from a Penicillium sp. J Antibiot (Tokyo). 1994 May;47(5):515-22. PubMed PMID: 7518818.
2: Clevenger KD, Ye R, Bok JW, Thomas PM, Islam MN, Miley GP, Robey MT, Chen C, Yang K, Swyers M, Wu E, Gao P, Wu CC, Keller NP, Kelleher NL. Interrogation of Benzomalvin Biosynthesis Using Fungal Artificial Chromosomes with Metabolomic Scoring (FAC-MS): Discovery of a Benzodiazepine Synthase Activity. Biochemistry. 2018 Jun 12;57(23):3237-3243. doi: 10.1021/acs.biochem.8b00076. Epub 2018 Mar 20. PubMed PMID: 29533658; PubMed Central PMCID: PMC5997561.
