WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H407292
CAS#: 949792-00-1
Description: T-5971079 is an inhibitors of Schistosoma mansoni HDAC8. S. mansoni histone deacetylase 8 (smHDAC8) is a potential target for antiparasitic therapy. Schistosomiasis, caused by S. mansoni, is a tropical disease that affects over 200 million people worldwide.
Hodoodo Cat#: H407292
Name: T-5971079
CAS#: 949792-00-1
Chemical Formula: C10H10N2O3S
Exact Mass: 238.04
Molecular Weight: 238.261
Elemental Analysis: C, 50.41; H, 4.23; N, 11.76; O, 20.14; S, 13.46
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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
Appearance: Solid powder
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
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
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 |
Formulation protocol: | |
In vitro protocol: | |
In vivo protocol: |
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.