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MedKoo Cat#: 125262 | Name: TBC-3711 sodium

Description:

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

TBC-3711 is an endothelin ETA receptor antagonist potentially for the treatment of resistant hypertension.

Chemical Structure

TBC-3711 sodium
TBC-3711 sodium
CAS#349453-84-5 (sodium)

Theoretical Analysis

MedKoo Cat#: 125262

Name: TBC-3711 sodium

CAS#: 349453-84-5 (sodium)

Chemical Formula: C20H20N3NaO5S2

Exact Mass: 469.0700

Molecular Weight: 469.51

Elemental Analysis: C, 51.16; H, 4.29; N, 8.95; Na, 4.90; O, 17.04; S, 13.66

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
349453-49-2 (free) 349453-84-5 (sodium)
Synonym
TBC-3711 sodium; I7X0X51T8Q; UNII-I7X0X51T8Q; 2-Thiophenecarboxamide, N-(2-acetyl-4,6-dimethylphenyl)-3-(((3,4-dimethyl-5-isoxazolyl)amino)sulfonyl)-, sodium salt (1:1) 349453-84-5
IUPAC/Chemical Name
sodium;[2-[(2-acetyl-4,6-dimethylphenyl)carbamoyl]thiophen-3-yl]sulfonyl-(3,4-dimethyl-1,2-oxazol-5-yl)azanide
InChi Key
XQTFFNMDNQTAJC-UHFFFAOYSA-M
InChi Code
InChI=1S/C20H21N3O5S2.Na/c1-10-8-11(2)17(15(9-10)14(5)24)21-19(25)18-16(6-7-29-18)30(26,27)23-20-12(3)13(4)22-28-20;/h6-9H,1-5H3,(H2,21,22,23,24,25);/q;+1/p-1
SMILES Code
CC1=C([N-]S(=O)(C2=C(C(NC3=C(C)C=C(C)C=C3C(C)=O)=O)SC=C2)=O)ON=C1C.[Na+]
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 469.51 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.

Recalculate based on batch purity %
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: Fenhammar J, Andersson A, Forestier J, Weitzberg E, Sollevi A, Hjelmqvist H, Frithiof R. Endothelin receptor A antagonism attenuates renal medullary blood flow impairment in endotoxemic pigs. PLoS One. 2011;6(7):e21534. doi: 10.1371/journal.pone.0021534. PubMed PMID: 21760895; PubMed Central PMCID: PMC3132177. 2: Mercier O, Sage E, Izziki M, Humbert M, Dartevelle P, Eddahibi S, Fadel E. Endothelin A receptor blockade improves regression of flow-induced pulmonary vasculopathy in piglets. J Thorac Cardiovasc Surg. 2010 Sep;140(3):677-83. doi: 10.1016/j.jtcvs.2010.01.004. PubMed PMID: 20723731. 3: Khurdayan VK, Bozzo J, Prous JR. Chronicles in drug discovery. Drug News Perspect. 2005 Oct;18(8):517-22. PubMed PMID: 16391721. 4: Kosanovic D, Kojonazarov B, Luitel H, Dahal BK, Sydykov A, Cornitescu T, Janssen W, Brandes RP, Davie N, Ghofrani HA, Weissmann N, Grimminger F, Seeger W, Schermuly RT. Therapeutic efficacy of TBC3711 in monocrotaline-induced pulmonary hypertension. Respir Res. 2011 Jun 23;12:87. doi: 10.1186/1465-9921-12-87. PubMed PMID: 21699729; PubMed Central PMCID: PMC3141422. 5: Andersson A, Fenhammar J, Weitzberg E, Sollevi A, Hjelmqvist H, Frithiof R. Endothelin-mediated gut microcirculatory dysfunction during porcine endotoxaemia. Br J Anaesth. 2010 Nov;105(5):640-7. doi: 10.1093/bja/aeq217. PubMed PMID: 20710019. 6: Wu C, Decker ER, Blok N, Bui H, You TJ, Wang J, Bourgoyne AR, Knowles V, Berens KL, Holland GW, Brock TA, Dixon RA. Discovery, modeling, and human pharmacokinetics of N-(2-acetyl-4,6-dimethylphenyl)-3-(3,4-dimethylisoxazol-5-ylsulfamoyl)thiophene-2-carboxamide (TBC3711), a second generation, ETA selective, and orally bioavailable endothelin antagonist. J Med Chem. 2004 Apr 8;47(8):1969-86. PubMed PMID: 15055997.