T-5971079

    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 407292

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.


Price and Availability

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T-5971079 is not in stock, but may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Shipping fee: from $30.00 (USA); from $45.00 (Canada); from $70.00 (international). Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 407292
Name: T-5971079
CAS#: 949792-00-1
Chemical Formula: C10H10N2O3S
Exact Mass: 238.0412
Molecular Weight: 238.261
Elemental Analysis: C, 50.41; H, 4.23; N, 11.76; O, 20.14; S, 13.46


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


Technical Data

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).

Harmonized System Code:
293490


References

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.