Synonym
T-5971079, T 5971079, T5971079
IUPAC/Chemical Name
N-hydroxy-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepine-7-carboxamide
InChi Key
IHRMVRSHVCKOFW-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H10N2O3S/c13-9-3-4-16-8-2-1-6(10(14)12-15)5-7(8)11-9/h1-2,5,15H,3-4H2,(H,11,13)(H,12,14)
SMILES Code
O=C(C1=CC=C(SCCC(N2)=O)C2=C1)NO
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, not in water
Shelf Life
>2 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
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
238.26
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. Discovery of Inhibitors of Schistosoma mansoni HDAC8 by Combining Homology Modeling, Virtual Screening, and in Vitro Validation. By Kannan, Srinivasaraghavan; Melesina, Jelena; Hauser, Alexander-Thomas; Chakrabarti, Alokta; Heimburg, Tino; Schmidtkunz, Karin; Walter, Alexandra; Marek, Martin; Pierce, Raymond J.; Romier, Christophe; et al. From Journal of Chemical Information and Modeling (2014), 54(10), 3005-3019.
2. Structural basis for the inhibition of histone deacetylase 8 (HDAC8), a key epigenetic player in the blood fluke Schistosoma mansoni. By Marek, Martin; Kannan, Srinivasaraghavan; Hauser, Alexander-Thomas; Mourao, Marina Moraes; Caby, Stephanie; Cura, Vincent; Stolfa, Diana A.; Schmidtkunz, Karin; Lancelot, Julien; Andrade, Luiza; et al. From PLoS Pathogens (2013), 9(9), e1003645.
